1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

C15H21N3S — CID 62741804

IUPAC1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ncc(CNC(c2cccs2)C2CCCC2)[nH]1
InChIInChI=1S/C15H21N3S/c1-11-16-9-13(18-11)10-17-15(12-5-2-3-6-12)14-7-4-8-19-14/h4,7-9,12,15,17H,2-3,5-6,10H2,1H3,(H,16,18)
InChIKeyGNELLMOROUACFA-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.80
Rot. Bonds5

About 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 62741804) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID62741804
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ncc(CNC(c2cccs2)C2CCCC2)[nH]1
InChIInChI=1S/C15H21N3S/c1-11-16-9-13(18-11)10-17-15(12-5-2-3-6-12)14-7-4-8-19-14/h4,7-9,12,15,17H,2-3,5-6,10H2,1H3,(H,16,18)
InChIKeyGNELLMOROUACFA-UHFFFAOYSA-N
XLogP3.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380194
(1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81391849
1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61016899
1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 60858994
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740637
N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine
CID 62741574
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol
CID 63324944

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (CID 62741804) is 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1ncc(CNC(c2cccs2)C2CCCC2)[nH]1.
What is the InChIKey of 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is GNELLMOROUACFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-16-9-13(18-11)10-17-15(12-5-2-3-6-12)14-7-4-8-19-14/h4,7-9,12,15,17H,2-3,5-6,10H2,1H3,(H,16,18).
What are the key properties of 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 62741804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).