Chemical ID: 5121062

CN(C)CCCCN(C)CCCN(C)C
Chemical ID:
5121062
Name [?]:
N'-(3-dimethylaminopropyl)-N,N,N'-trimethyl-butane-1,4-diamine
SMILES [?]:
CN(C)CCCCN(C)CCCN(C)C
InChi [?]:
InChI=1/C12H29N3/c1-13(2)9-6-7-11-15(5)12-8-10-14(3)4/h6-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,9,5,6,11,4,12,7,10,2,13,8/E:(1,2)(3,4)/rA:15cCNCCCCCNCCCCNCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s8;s10;s11;s12;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H29N3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:9.70308
Area:464.386
Solvation:-1.90657
Coulombic:-14.9856
Bond Count [?]
All:14
Single:14
Double:0
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:215.379
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.84
LogP (Chemaxon):0.67

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue