3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine

C8H16ClNS — CID 106438084

IUPAC3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine
SMILESCSCC(C)NCC(C)=CCl
InChIInChI=1S/C8H16ClNS/c1-7(4-9)5-10-8(2)6-11-3/h4,8,10H,5-6H2,1-3H3
InChIKeyXCHOLAGAOPESON-UHFFFAOYSA-N
MW193.74 g/mol
LogP2.47
Rot. Bonds5

About 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine

3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine (PubChem CID 106438084) has the molecular formula C8H16ClNS and a molecular weight of 193.74 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine
PubChem CID106438084
Molecular FormulaC8H16ClNS
Molecular Weight193.74 g/mol
Exact Mass193.07
IUPAC Name3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine
SMILESCSCC(C)NCC(C)=CCl
InChIInChI=1S/C8H16ClNS/c1-7(4-9)5-10-8(2)6-11-3/h4,8,10H,5-6H2,1-3H3
InChIKeyXCHOLAGAOPESON-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-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 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine (CID 106438084) is 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine is CSCC(C)NCC(C)=CCl.
What is the InChIKey of 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine?
The InChIKey is XCHOLAGAOPESON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNS/c1-7(4-9)5-10-8(2)6-11-3/h4,8,10H,5-6H2,1-3H3.
What are the key properties of 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine?
3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine has a molecular weight of 193.74 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 106438084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).