(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane

C23H43NS — CID 143364874

IUPAC(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane
SMILESC=C(NCC)/C(CCCC)=C(/C)SC1CCCCC1.CC1CCCC1
InChIInChI=1S/C17H31NS.C6H12/c1-5-7-13-17(14(3)18-6-2)15(4)19-16-11-9-8-10-12-16;1-6-4-2-3-5-6/h16,18H,3,5-13H2,1-2,4H3;6H,2-5H2,1H3/b17-15-;
InChIKeyXAUSQXYALZRYCH-NYDCQJDFSA-N
MW365.67 g/mol
LogP7.84
Rot. Bonds8

About (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane

(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane (PubChem CID 143364874) has the molecular formula C23H43NS and a molecular weight of 365.67 g/mol. Its IUPAC name is (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane.

Molecular Properties

Compound Name(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane
PubChem CID143364874
Molecular FormulaC23H43NS
Molecular Weight365.67 g/mol
Exact Mass365.31
IUPAC Name(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane
SMILESC=C(NCC)/C(CCCC)=C(/C)SC1CCCCC1.CC1CCCC1
InChIInChI=1S/C17H31NS.C6H12/c1-5-7-13-17(14(3)18-6-2)15(4)19-16-11-9-8-10-12-16;1-6-4-2-3-5-6/h16,18H,3,5-13H2,1-2,4H3;6H,2-5H2,1H3/b17-15-;
InChIKeyXAUSQXYALZRYCH-NYDCQJDFSA-N
XLogP7.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.67
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane?
The IUPAC name of (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane (CID 143364874) is (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane.
What is the SMILES notation for (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane?
The canonical SMILES for (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane is C=C(NCC)/C(CCCC)=C(/C)SC1CCCCC1.CC1CCCC1.
What is the InChIKey of (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane?
The InChIKey is XAUSQXYALZRYCH-NYDCQJDFSA-N. The full InChI is InChI=1S/C17H31NS.C6H12/c1-5-7-13-17(14(3)18-6-2)15(4)19-16-11-9-8-10-12-16;1-6-4-2-3-5-6/h16,18H,3,5-13H2,1-2,4H3;6H,2-5H2,1H3/b17-15-;.
What are the key properties of (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane?
(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane has a molecular weight of 365.67 g/mol, XLogP of 7.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane is sourced from PubChem (CID 143364874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).