2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine

C16H27NS — CID 112569967

IUPAC2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNCC(CCc1cccs1)C1CCCC1
InChIInChI=1S/C16H27NS/c1-2-11-17-13-15(14-6-3-4-7-14)9-10-16-8-5-12-18-16/h5,8,12,14-15,17H,2-4,6-7,9-11,13H2,1H3
InChIKeyVYTBTTUMVVUAGN-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.49
Rot. Bonds8

About 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine

2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 112569967) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
PubChem CID112569967
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNCC(CCc1cccs1)C1CCCC1
InChIInChI=1S/C16H27NS/c1-2-11-17-13-15(14-6-3-4-7-14)9-10-16-8-5-12-18-16/h5,8,12,14-15,17H,2-4,6-7,9-11,13H2,1H3
InChIKeyVYTBTTUMVVUAGN-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.49
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

N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
1-cyclohexyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 55234964
N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
N-(1-cyclohexyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61066233
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116722695
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine (CID 112569967) is 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine is CCCNCC(CCc1cccs1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is VYTBTTUMVVUAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-2-11-17-13-15(14-6-3-4-7-14)9-10-16-8-5-12-18-16/h5,8,12,14-15,17H,2-4,6-7,9-11,13H2,1H3.
What are the key properties of 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 112569967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).