Chemical ID: 5758021

CCN(CC)CC#CC(=C)C
Chemical ID:
5758021
Name [?]:
N,N-diethyl-4-methyl-pent-4-en-2-yn-1-amine
SMILES [?]:
CCN(CC)CC#CC(=C)C
InChi [?]:
InChI=1/C10H17N/c1-5-11(6-2)9-7-8-10(3)4/h3,5-6,9H2,1-2,4H3
InChi Info:
AuxInfo=1/0/N:1,5,10,11,2,4,7,8,6,9,3/E:(1,2)(5,6)/rA:11nCCNCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;t7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H17N
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.65286
Area:351.392
Solvation:-1.13195
Coulombic:-6.68018
Bond Count [?]
All:10
Single:8
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:151.249
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.63
LogP (Chemaxon):2.04

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