N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine

C15H27N3 — CID 114191659

IUPACN-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1CCC1CCCC1
InChIInChI=1S/C15H27N3/c1-13(2)11-16-12-15-17-8-10-18(15)9-7-14-5-3-4-6-14/h8,10,13-14,16H,3-7,9,11-12H2,1-2H3
InChIKeyLSBSVHNGHABACV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds7

About N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114191659) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID114191659
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1CCC1CCCC1
InChIInChI=1S/C15H27N3/c1-13(2)11-16-12-15-17-8-10-18(15)9-7-14-5-3-4-6-14/h8,10,13-14,16H,3-7,9,11-12H2,1-2H3
InChIKeyLSBSVHNGHABACV-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]methyl]propan-1-amine
CID 66400727
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
CID 79356035
1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106563373
2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
CID 66402687
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
1-[2-(4-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574335
2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717713
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66401124
1-(3-cyclopropylpropyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106582547

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine (CID 114191659) is N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nccn1CCC1CCCC1.
What is the InChIKey of N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LSBSVHNGHABACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)11-16-12-15-17-8-10-18(15)9-7-14-5-3-4-6-14/h8,10,13-14,16H,3-7,9,11-12H2,1-2H3.
What are the key properties of N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114191659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).