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Chemical ID: 5178971
Chemical ID:
5178971
Name [?]:
N'-(3-diethylaminopropyl)-N,N-diethyl-pentane-1,4-diamine
SMILES [?]:
CCN(CC)CCCC(C)NCCCN(CC)CC
InChi [?]:
InChI=1/C16H37N3/c1-6-18(7-2)14-10-12-16(5)17-13-11-15-19(8-3)9-4/h16-17H,6-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,17,19,10,2,4,16,18,7,13,8,12,6,14,9,11,3,15/E:(1,2)(3,4)(6,7)(8,9)/rA:19cCCNCCCCCCCNCCCNCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;s14;s15;s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H37N3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3229 |
Area: | 562.377 |
Solvation: | -1.73656 |
Coulombic: | -19.5244 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 271.485 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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