3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine

C11H20ClNS — CID 106438264

IUPAC3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine
SMILESCSC1(CNCC(C)=CCl)CCCC1
InChIInChI=1S/C11H20ClNS/c1-10(7-12)8-13-9-11(14-2)5-3-4-6-11/h7,13H,3-6,8-9H2,1-2H3
InChIKeyOMLOHTVEIARSHZ-UHFFFAOYSA-N
MW233.81 g/mol
LogP3.39
Rot. Bonds5

About 3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine

3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine (PubChem CID 106438264) has the molecular formula C11H20ClNS and a molecular weight of 233.81 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine
PubChem CID106438264
Molecular FormulaC11H20ClNS
Molecular Weight233.81 g/mol
Exact Mass233.10
IUPAC Name3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine
SMILESCSC1(CNCC(C)=CCl)CCCC1
InChIInChI=1S/C11H20ClNS/c1-10(7-12)8-13-9-11(14-2)5-3-4-6-11/h7,13H,3-6,8-9H2,1-2H3
InChIKeyOMLOHTVEIARSHZ-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine
CID 105818328
2-methylidene-N-[(1-methylsulfanylcyclopentyl)methyl]butan-1-amine
CID 105819812
(E)-3-chloro-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine
CID 105819865
2,3-dichloro-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine
CID 105819992
2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine
CID 105820028
(E)-4-chloro-N-[(1-methylsulfanylcyclopentyl)methyl]but-2-en-1-amine
CID 105820034
3-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]but-2-en-1-amine
CID 105820045
2-chloro-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine
CID 105820097
2,3-dichloro-N-[(1-methylsulfanylcyclohexyl)methyl]prop-2-en-1-amine
CID 105820875
3-chloro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]prop-2-en-1-amine
CID 106437918
N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine
CID 106438262
3-chloro-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]prop-2-en-1-amine
CID 106438263

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine (CID 106438264) is 3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine is CSC1(CNCC(C)=CCl)CCCC1.
What is the InChIKey of 3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine?
The InChIKey is OMLOHTVEIARSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNS/c1-10(7-12)8-13-9-11(14-2)5-3-4-6-11/h7,13H,3-6,8-9H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine?
3-chloro-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine has a molecular weight of 233.81 g/mol, XLogP of 3.39, 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-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 106438264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).