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

C17H31NS — CID 143364875

IUPAC(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine
SMILESC=C(NCC)/C(CCCC)=C(/C)SC1CCCCC1
InChIInChI=1S/C17H31NS/c1-5-7-13-17(14(3)18-6-2)15(4)19-16-11-9-8-10-12-16/h16,18H,3,5-13H2,1-2,4H3/b17-15-
InChIKeyIJLVHUBCGNDYKO-ICFOKQHNSA-N
MW281.51 g/mol
LogP5.64
Rot. Bonds8

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

(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine (PubChem CID 143364875) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine.

Molecular Properties

Compound Name(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine
PubChem CID143364875
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC Name(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine
SMILESC=C(NCC)/C(CCCC)=C(/C)SC1CCCCC1
InChIInChI=1S/C17H31NS/c1-5-7-13-17(14(3)18-6-2)15(4)19-16-11-9-8-10-12-16/h16,18H,3,5-13H2,1-2,4H3/b17-15-
InChIKeyIJLVHUBCGNDYKO-ICFOKQHNSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-lambda4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine
CID 166811784
2-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole
CID 142972441
N-[1-(5-propyl-7,7a-dihydro-1-benzothiophen-3-yl)ethenyl]octadecan-1-amine
CID 137414296
N-methyl-7-[3-(octadecylamino)buta-1,3-dien-2-yl]-4-propan-2-ylsulfanylcyclohepta-1,3,6-trien-1-amine
CID 137414311
(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine;methylcyclopentane
CID 143364874
1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine
CID 170286317
(4E)-4-methyl-5-methylsulfanyl-N-pentyl-3-propan-2-ylidenehexa-1,4-dien-2-amine
CID 153556977

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine?
The IUPAC name of (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine (CID 143364875) is (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine.
What is the SMILES notation for (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine?
The canonical SMILES for (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine is C=C(NCC)/C(CCCC)=C(/C)SC1CCCCC1.
What is the InChIKey of (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine?
The InChIKey is IJLVHUBCGNDYKO-ICFOKQHNSA-N. The full InChI is InChI=1S/C17H31NS/c1-5-7-13-17(14(3)18-6-2)15(4)19-16-11-9-8-10-12-16/h16,18H,3,5-13H2,1-2,4H3/b17-15-.
What are the key properties of (3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine?
(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine has a molecular weight of 281.51 g/mol, XLogP of 5.64, 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 is sourced from PubChem (CID 143364875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).