(E)-3-methyl-5-methylsulfanylpent-4-en-1-amine

C7H15NS — CID 55283871

IUPAC(E)-3-methyl-5-methylsulfanylpent-4-en-1-amine
SMILESCS/C=C/C(C)CCN
InChIInChI=1S/C7H15NS/c1-7(3-5-8)4-6-9-2/h4,6-7H,3,5,8H2,1-2H3/b6-4+
InChIKeyPXAVPRIRXSCECB-GQCTYLIASA-N
MW145.27 g/mol
LogP1.85
Rot. Bonds4

About (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine

(E)-3-methyl-5-methylsulfanylpent-4-en-1-amine (PubChem CID 55283871) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine.

Molecular Properties

Compound Name(E)-3-methyl-5-methylsulfanylpent-4-en-1-amine
PubChem CID55283871
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(E)-3-methyl-5-methylsulfanylpent-4-en-1-amine
SMILESCS/C=C/C(C)CCN
InChIInChI=1S/C7H15NS/c1-7(3-5-8)4-6-9-2/h4,6-7H,3,5,8H2,1-2H3/b6-4+
InChIKeyPXAVPRIRXSCECB-GQCTYLIASA-N
XLogP1.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-methyl-5-methylsulfanylpent-4-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 (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine?
The IUPAC name of (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine (CID 55283871) is (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine.
What is the SMILES notation for (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine?
The canonical SMILES for (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine is CS/C=C/C(C)CCN.
What is the InChIKey of (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine?
The InChIKey is PXAVPRIRXSCECB-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15NS/c1-7(3-5-8)4-6-9-2/h4,6-7H,3,5,8H2,1-2H3/b6-4+.
What are the key properties of (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine?
(E)-3-methyl-5-methylsulfanylpent-4-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-5-methylsulfanylpent-4-en-1-amine is sourced from PubChem (CID 55283871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).