3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine

C13H21NS — CID 115578432

IUPAC3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCC2CCCC2)cs1
InChIInChI=1S/C13H21NS/c1-2-5-12(4-1)6-3-8-14-10-13-7-9-15-11-13/h7,9,11-12,14H,1-6,8,10H2
InChIKeySGHRQJQSLOLNPW-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.81
Rot. Bonds6

About 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine

3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 115578432) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID115578432
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCC2CCCC2)cs1
InChIInChI=1S/C13H21NS/c1-2-5-12(4-1)6-3-8-14-10-13-7-9-15-11-13/h7,9,11-12,14H,1-6,8,10H2
InChIKeySGHRQJQSLOLNPW-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
CID 115598283
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 107320001
N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 119139537
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
4-[(4-cyclopentylbutylamino)methyl]benzoic acid
CID 122031644
3-(2-cyclopropylethyl)thiophene
CID 159324839

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 115578432) is 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine is c1cc(CNCCCC2CCCC2)cs1.
What is the InChIKey of 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is SGHRQJQSLOLNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-5-12(4-1)6-3-8-14-10-13-7-9-15-11-13/h7,9,11-12,14H,1-6,8,10H2.
What are the key properties of 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine?
3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115578432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).