(3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine

C8H15NS — CID 143076563

IUPAC(3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine
SMILESC=C/C=C(\SC)C(C)(C)N
InChIInChI=1S/C8H15NS/c1-5-6-7(10-4)8(2,3)9/h5-6H,1,9H2,2-4H3/b7-6-
InChIKeySWWMTMQHBKICRC-SREVYHEPSA-N
MW157.28 g/mol
LogP2.16
Rot. Bonds3

About (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine

(3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine (PubChem CID 143076563) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine
PubChem CID143076563
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine
SMILESC=C/C=C(\SC)C(C)(C)N
InChIInChI=1S/C8H15NS/c1-5-6-7(10-4)8(2,3)9/h5-6H,1,9H2,2-4H3/b7-6-
InChIKeySWWMTMQHBKICRC-SREVYHEPSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-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 (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine (CID 143076563) is (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine is C=C/C=C(\SC)C(C)(C)N.
What is the InChIKey of (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine?
The InChIKey is SWWMTMQHBKICRC-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-6-7(10-4)8(2,3)9/h5-6H,1,9H2,2-4H3/b7-6-.
What are the key properties of (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine?
(3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine has a molecular weight of 157.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-3-methylsulfanylhexa-3,5-dien-2-amine is sourced from PubChem (CID 143076563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).