(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C12H21N3 — CID 81386227

IUPAC(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESC[C@H](NCc1nccn1C)C1CCCC1
InChIInChI=1S/C12H21N3/c1-10(11-5-3-4-6-11)14-9-12-13-7-8-15(12)2/h7-8,10-11,14H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyPBYRBTYPFUZMLZ-JTQLQIEISA-N
MW207.32 g/mol
LogP2.09
Rot. Bonds4

About (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 81386227) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID81386227
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESC[C@H](NCc1nccn1C)C1CCCC1
InChIInChI=1S/C12H21N3/c1-10(11-5-3-4-6-11)14-9-12-13-7-8-15(12)2/h7-8,10-11,14H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyPBYRBTYPFUZMLZ-JTQLQIEISA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655247
(1S)-1-cycloheptyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 81391865
1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
(1S)-1-cyclohexyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81384071
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 61215311
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 81386227) is (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is C[C@H](NCc1nccn1C)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is PBYRBTYPFUZMLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3/c1-10(11-5-3-4-6-11)14-9-12-13-7-8-15(12)2/h7-8,10-11,14H,3-6,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81386227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).