N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine

C11H17NS — CID 79803372

IUPACN-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
SMILESCc1cscc1CNC1CCCC1
InChIInChI=1S/C11H17NS/c1-9-7-13-8-10(9)6-12-11-4-2-3-5-11/h7-8,11-12H,2-6H2,1H3
InChIKeyHTSVUWHLNWDCEM-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.09
Rot. Bonds3

About N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine

N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine (PubChem CID 79803372) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
PubChem CID79803372
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
SMILESCc1cscc1CNC1CCCC1
InChIInChI=1S/C11H17NS/c1-9-7-13-8-10(9)6-12-11-4-2-3-5-11/h7-8,11-12H,2-6H2,1H3
InChIKeyHTSVUWHLNWDCEM-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-3-ylmethyl)butan-2-amine
CID 4723850
2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 79803295
N-[(4-methylthiophen-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80242232
3,3,3-trifluoro-N-[(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 80248003
2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 80248598
2-fluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 80694064
3-fluoro-N-[(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 81105752
1,1-difluoro-N-[(4-methylthiophen-3-yl)methyl]propan-2-amine
CID 102869772
4,4,4-trifluoro-N-[(4-methylthiophen-3-yl)methyl]butan-1-amine
CID 115513810
6,6,6-trifluoro-N-[(4-methylthiophen-3-yl)methyl]hexan-2-amine
CID 116534904
N-[(4-methylthiophen-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615669
3-fluoro-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 130637037

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine (CID 79803372) is N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine is Cc1cscc1CNC1CCCC1.
What is the InChIKey of N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine?
The InChIKey is HTSVUWHLNWDCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9-7-13-8-10(9)6-12-11-4-2-3-5-11/h7-8,11-12H,2-6H2,1H3.
What are the key properties of N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine?
N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine has a molecular weight of 195.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine is sourced from PubChem (CID 79803372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).