1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine

C12H19NS — CID 102832026

IUPAC1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)C1CCCC1
InChIInChI=1S/C12H19NS/c1-9-11(7-8-14-9)12(13-2)10-5-3-4-6-10/h7-8,10,12-13H,3-6H2,1-2H3
InChIKeyAIRKUSWXCWQUHQ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.51
Rot. Bonds3

About 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine

1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102832026) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102832026
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)C1CCCC1
InChIInChI=1S/C12H19NS/c1-9-11(7-8-14-9)12(13-2)10-5-3-4-6-10/h7-8,10,12-13H,3-6H2,1-2H3
InChIKeyAIRKUSWXCWQUHQ-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841400
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841672
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629
N-methyl-1-(2-methylcyclopentyl)-1-(2-methylthiophen-3-yl)methanamine
CID 107191644
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102840428
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine
CID 130594687
1-cycloheptyl-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 82932611
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102832026) is 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccsc1C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is AIRKUSWXCWQUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-11(7-8-14-9)12(13-2)10-5-3-4-6-10/h7-8,10,12-13H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine has a molecular weight of 209.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102832026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).