(Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine

C9H19NS — CID 167148317

IUPAC(Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine
SMILESCC/C=C(/CC)NCCSC
InChIInChI=1S/C9H19NS/c1-4-6-9(5-2)10-7-8-11-3/h6,10H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyGRIYFXKCYYOXDZ-TWGQIWQCSA-N
MW173.32 g/mol
LogP2.64
Rot. Bonds6

About (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine

(Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine (PubChem CID 167148317) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine
PubChem CID167148317
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine
SMILESCC/C=C(/CC)NCCSC
InChIInChI=1S/C9H19NS/c1-4-6-9(5-2)10-7-8-11-3/h6,10H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyGRIYFXKCYYOXDZ-TWGQIWQCSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Methylsulfanylmethyl)-1,4-dihydropyridine
CID 70065395
N'-[(3E,5E)-6-methylsulfanylhepta-3,5-dien-3-yl]pentane-1,5-diamine
CID 89209288
(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
CID 89340441
(Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine
CID 118617272
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethyldisulfanyl)ethyl]docosa-1,4,7,10,13,16,19-heptaen-2-amine
CID 121242524
(Z)-N-methyl-1-methylsulfanylhex-3-en-3-amine
CID 134357830
(Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol
CID 137466685
(Z)-N-[1-(trimethyl-lambda4-sulfanyl)but-3-en-2-yl]pent-2-en-2-amine
CID 138667307
2-[[(Z)-pent-2-en-2-yl]amino]but-3-ene-1-thiol
CID 138667308
N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine
CID 139430588
[(E)-2-(methylamino)pent-2-enyl] methanedithioate
CID 139539536
N-pentyl-3,6-dihydro-2H-thiopyran-4-amine
CID 141769027

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine?
The IUPAC name of (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine (CID 167148317) is (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine.
What is the SMILES notation for (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine?
The canonical SMILES for (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine is CC/C=C(/CC)NCCSC.
What is the InChIKey of (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine?
The InChIKey is GRIYFXKCYYOXDZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-6-9(5-2)10-7-8-11-3/h6,10H,4-5,7-8H2,1-3H3/b9-6-.
What are the key properties of (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine?
(Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine has a molecular weight of 173.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methylsulfanylethyl)hex-3-en-3-amine is sourced from PubChem (CID 167148317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).