3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine

C15H25NS — CID 106008268

IUPAC3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCc1ccc(CNCCCC2CCCC2)s1
InChIInChI=1S/C15H25NS/c1-2-14-9-10-15(17-14)12-16-11-5-8-13-6-3-4-7-13/h9-10,13,16H,2-8,11-12H2,1H3
InChIKeyLCBWUDLEQKAPGP-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.37
Rot. Bonds7

About 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine

3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 106008268) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID106008268
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCc1ccc(CNCCCC2CCCC2)s1
InChIInChI=1S/C15H25NS/c1-2-14-9-10-15(17-14)12-16-11-5-8-13-6-3-4-7-13/h9-10,13,16H,2-8,11-12H2,1H3
InChIKeyLCBWUDLEQKAPGP-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.37
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

3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 114136736
N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362826
3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
CID 114136754
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 114136966
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-cyclopentylpropan-1-amine
CID 106007961
3-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106011044
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
[2-[[(5-ethylthiophen-2-yl)methylamino]methyl]cyclohexyl]methanamine
CID 106012069
2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
CID 115702786
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine (CID 106008268) is 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine is CCc1ccc(CNCCCC2CCCC2)s1.
What is the InChIKey of 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is LCBWUDLEQKAPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-2-14-9-10-15(17-14)12-16-11-5-8-13-6-3-4-7-13/h9-10,13,16H,2-8,11-12H2,1H3.
What are the key properties of 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine?
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106008268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).