(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine

C7H15NS — CID 144566503

IUPAC(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine
SMILESCNCC/C=C\CSC
InChIInChI=1S/C7H15NS/c1-8-6-4-3-5-7-9-2/h3,5,8H,4,6-7H2,1-2H3/b5-3-
InChIKeyYVPFOXWUSCGJBF-HYXAFXHYSA-N
MW145.27 g/mol
LogP1.52
Rot. Bonds5

About (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine

(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine (PubChem CID 144566503) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine
PubChem CID144566503
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine
SMILESCNCC/C=C\CSC
InChIInChI=1S/C7H15NS/c1-8-6-4-3-5-7-9-2/h3,5,8H,4,6-7H2,1-2H3/b5-3-
InChIKeyYVPFOXWUSCGJBF-HYXAFXHYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-en-1-amine
CID 116615771
2-((Z)-2-butenyl)thiazolidine
CID 5352326
2-[(E)-pent-3-enyl]sulfanylethanamine
CID 58684285
2-[(E)-pent-3-en-2-yl]sulfanylethanamine
CID 58684441
N-(2-methylsulfanylethyl)but-3-en-1-amine
CID 64314910
2-(2,3-dihydrothiophen-5-yl)-N-methylethanamine
CID 68333587
2-methylsulfanyl-2,3,4,7-tetrahydro-1H-azepine
CID 70439094
2-Pent-3-enylsulfanylethanamine
CID 72391028
2-Pent-3-en-2-ylsulfanylethanamine
CID 72391105
7-Methyl-2,3,4,5-tetrahydro-1,3-thiazepine
CID 89101930
(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
CID 89340441
(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
CID 89343193

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine?
The IUPAC name of (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine (CID 144566503) is (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine?
The canonical SMILES for (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine is CNCC/C=C\CSC.
What is the InChIKey of (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine?
The InChIKey is YVPFOXWUSCGJBF-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H15NS/c1-8-6-4-3-5-7-9-2/h3,5,8H,4,6-7H2,1-2H3/b5-3-.
What are the key properties of (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine?
(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine is sourced from PubChem (CID 144566503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).