Chemical ID: 6411878

CCN(CC)CC#CC1=CCCC1
Chemical ID:
6411878
Name [?]:
3-(1-cyclopentenyl)-N,N-diethyl-prop-2-yn-1-amine
SMILES [?]:
CCN(CC)CC#CC1=CCCC1
InChi [?]:
InChI=1/C12H19N/c1-3-13(4-2)11-7-10-12-8-5-6-9-12/h8H,3-6,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,12,7,10,13,8,6,9,3/E:(1,2)(3,4)/rA:13nCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;t7;s8;d9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.40386
Area:382.5
Solvation:-1.15865
Coulombic:-6.52957
Bond Count [?]
All:13
Single:11
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:177.286
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.17
LogP (Chemaxon):2.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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