(Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine

C8H17NS — CID 14398046

IUPAC(Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine
SMILESCS/C=C(/C)CNC(C)C
InChIInChI=1S/C8H17NS/c1-7(2)9-5-8(3)6-10-4/h6-7,9H,5H2,1-4H3/b8-6-
InChIKeyRVUDOORAROQKCE-VURMDHGXSA-N
MW159.30 g/mol
LogP2.25
Rot. Bonds4

About (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine

(Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 14398046) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID14398046
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine
SMILESCS/C=C(/C)CNC(C)C
InChIInChI=1S/C8H17NS/c1-7(2)9-5-8(3)6-10-4/h6-7,9H,5H2,1-4H3/b8-6-
InChIKeyRVUDOORAROQKCE-VURMDHGXSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-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)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine (CID 14398046) is (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine is CS/C=C(/C)CNC(C)C.
What is the InChIKey of (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is RVUDOORAROQKCE-VURMDHGXSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)9-5-8(3)6-10-4/h6-7,9H,5H2,1-4H3/b8-6-.
What are the key properties of (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine?
(Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-methylsulfanyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 14398046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).