2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine

C18H29NS — CID 115926645

IUPAC2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
SMILESCCCNCC(CCSc1ccccc1)C1CCCC1
InChIInChI=1S/C18H29NS/c1-2-13-19-15-17(16-8-6-7-9-16)12-14-20-18-10-4-3-5-11-18/h3-5,10-11,16-17,19H,2,6-9,12-15H2,1H3
InChIKeyBQPHGZQFCNWNMZ-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.97
Rot. Bonds9

About 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine

2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine (PubChem CID 115926645) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
PubChem CID115926645
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
SMILESCCCNCC(CCSc1ccccc1)C1CCCC1
InChIInChI=1S/C18H29NS/c1-2-13-19-15-17(16-8-6-7-9-16)12-14-20-18-10-4-3-5-11-18/h3-5,10-11,16-17,19H,2,6-9,12-15H2,1H3
InChIKeyBQPHGZQFCNWNMZ-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.97
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-cyclohexyl-N-propylpentan-1-amine
CID 82932453
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
2-cyclopentyl-5,5-dimethyl-N-propylhexan-1-amine
CID 112569928
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
CID 81392929
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine
CID 114899233
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine
CID 79228974
2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 112569843

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine?
The IUPAC name of 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine (CID 115926645) is 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine?
The canonical SMILES for 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine is CCCNCC(CCSc1ccccc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine?
The InChIKey is BQPHGZQFCNWNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-2-13-19-15-17(16-8-6-7-9-16)12-14-20-18-10-4-3-5-11-18/h3-5,10-11,16-17,19H,2,6-9,12-15H2,1H3.
What are the key properties of 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine?
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine is sourced from PubChem (CID 115926645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).