(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine

C8H17NS — CID 146580980

IUPAC(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine
SMILESCC/C=C(/CNC)CSC
InChIInChI=1S/C8H17NS/c1-4-5-8(6-9-2)7-10-3/h5,9H,4,6-7H2,1-3H3/b8-5-
InChIKeyVZHVDIYOGMDGRO-YVMONPNESA-N
MW159.30 g/mol
LogP1.91
Rot. Bonds5

About (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine

(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine (PubChem CID 146580980) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine
PubChem CID146580980
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine
SMILESCC/C=C(/CNC)CSC
InChIInChI=1S/C8H17NS/c1-4-5-8(6-9-2)7-10-3/h5,9H,4,6-7H2,1-3H3/b8-5-
InChIKeyVZHVDIYOGMDGRO-YVMONPNESA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine (CID 146580980) is (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine is CC/C=C(/CNC)CSC.
What is the InChIKey of (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine?
The InChIKey is VZHVDIYOGMDGRO-YVMONPNESA-N. The full InChI is InChI=1S/C8H17NS/c1-4-5-8(6-9-2)7-10-3/h5,9H,4,6-7H2,1-3H3/b8-5-.
What are the key properties of (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine?
(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine is sourced from PubChem (CID 146580980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).