(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine

C12H19NS — CID 107177670

IUPAC(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CCCC1C
InChIInChI=1S/C12H19NS/c1-8-4-3-5-10(8)11(13)12-9(2)6-7-14-12/h6-8,10-11H,3-5,13H2,1-2H3
InChIKeyNJVZRKBUQKBBFV-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.49
Rot. Bonds2

About (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine

(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 107177670) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
PubChem CID107177670
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CCCC1C
InChIInChI=1S/C12H19NS/c1-8-4-3-5-10(8)11(13)12-9(2)6-7-14-12/h6-8,10-11H,3-5,13H2,1-2H3
InChIKeyNJVZRKBUQKBBFV-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 81329828
(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
CID 116941904
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295
(2-methylcyclopentyl)-thiophen-3-ylmethanamine
CID 107189168
(3-ethyl-1,4-dithian-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115387497
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926
2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
CID 105166501
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988031
1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 63115022
2-cyclobutyloxy-2-(3-methylthiophen-2-yl)ethanamine
CID 62115425

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine (CID 107177670) is (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)C1CCCC1C.
What is the InChIKey of (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is NJVZRKBUQKBBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8-4-3-5-10(8)11(13)12-9(2)6-7-14-12/h6-8,10-11H,3-5,13H2,1-2H3.
What are the key properties of (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine?
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 209.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 107177670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).