N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine

C17H21NS — CID 43740592

IUPACN-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
SMILESc1ccc(CNC(c2cccs2)C2CCCC2)cc1
InChIInChI=1S/C17H21NS/c1-2-7-14(8-3-1)13-18-17(15-9-4-5-10-15)16-11-6-12-19-16/h1-3,6-8,11-12,15,17-18H,4-5,9-10,13H2
InChIKeyIXLXEPMQNKTKAR-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.77
Rot. Bonds5

About N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine

N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine (PubChem CID 43740592) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
PubChem CID43740592
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
SMILESc1ccc(CNC(c2cccs2)C2CCCC2)cc1
InChIInChI=1S/C17H21NS/c1-2-7-14(8-3-1)13-18-17(15-9-4-5-10-15)16-11-6-12-19-16/h1-3,6-8,11-12,15,17-18H,4-5,9-10,13H2
InChIKeyIXLXEPMQNKTKAR-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
4-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 122030123
1-cyclopentyl-N-[(1-ethylpyrrol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 66414954
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine
CID 60707258
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740577
4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380194
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 60858994

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine (CID 43740592) is N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine is c1ccc(CNC(c2cccs2)C2CCCC2)cc1.
What is the InChIKey of N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine?
The InChIKey is IXLXEPMQNKTKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-7-14(8-3-1)13-18-17(15-9-4-5-10-15)16-11-6-12-19-16/h1-3,6-8,11-12,15,17-18H,4-5,9-10,13H2.
What are the key properties of N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine?
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43740592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).