Chemical ID: 7100315

C1CCCN(CC1)CC2CCCN2
Chemical ID:
7100315
Name [?]:
1-(pyrrolidin-2-ylmethyl)azepane
SMILES [?]:
C1CCCN(CC1)CC2CCCN2
InChi [?]:
InChI=1/C11H22N2/c1-2-4-9-13(8-3-1)10-11-6-5-7-12-11/h11-12H,1-10H2
InChi Info:
AuxInfo=1/0/N:1,2,7,3,11,10,12,6,4,8,9,13,5/E:(1,2)(3,4)(8,9)/rA:13cCCCCNCCCCCCCN/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H22N2
All Atoms:35
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.40433
Area:352.057
Solvation:-1.3971
Coulombic:-13.4436
Bond Count [?]
All:14
Single:14
Double:0
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:182.306
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.44
LogP (Chemaxon):1.29

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