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

C8H16ClNS — CID 106438078

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

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

3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine (PubChem CID 106438078) has the molecular formula C8H16ClNS and a molecular weight of 193.74 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
PubChem CID106438078
Molecular FormulaC8H16ClNS
Molecular Weight193.74 g/mol
Exact Mass193.07
IUPAC Name3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
SMILESCSC(C)CNCC(C)=CCl
InChIInChI=1S/C8H16ClNS/c1-7(4-9)5-10-6-8(2)11-3/h4,8,10H,5-6H2,1-3H3
InChIKeyCMQDZSWZOFDGHS-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-(2-methylsulfanylpropyl)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

Related Compounds

3-chloro-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 106438378
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
N-[2-(2-chloroethylsulfanyl)ethyl]-3-methylbut-2-en-1-amine
CID 89201405
2-Chloro-N-[2-methyl-3-(methylsulfanyl)propyl]prop-2-en-1-amine
CID 63964949
2,3-dichloro-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 79168225
N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 79168325
(E)-4-chloro-N-(3-methylsulfanylpropyl)but-2-en-1-amine
CID 81430700
N-[(E)-4-chlorobut-2-enyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 81430847
2-(methylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068393
2-chloro-N-(3-ethylsulfanylpropyl)prop-2-en-1-amine
CID 104081934
2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
CID 104861423

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine (CID 106438078) is 3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine is CSC(C)CNCC(C)=CCl.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine?
The InChIKey is CMQDZSWZOFDGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNS/c1-7(4-9)5-10-6-8(2)11-3/h4,8,10H,5-6H2,1-3H3.
What are the key properties of 3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine?
3-chloro-2-methyl-N-(2-methylsulfanylpropyl)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-(2-methylsulfanylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 106438078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).