3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine

C13H23N3 — CID 84687148

IUPAC3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine
SMILESNCCCc1nccn1CC1CCCCC1
InChIInChI=1S/C13H23N3/c14-8-4-7-13-15-9-10-16(13)11-12-5-2-1-3-6-12/h9-10,12H,1-8,11,14H2
InChIKeyDNYMHNJCGIZLFA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.35
Rot. Bonds5

About 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine

3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine (PubChem CID 84687148) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine
PubChem CID84687148
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine
SMILESNCCCc1nccn1CC1CCCCC1
InChIInChI=1S/C13H23N3/c14-8-4-7-13-15-9-10-16(13)11-12-5-2-1-3-6-12/h9-10,12H,1-8,11,14H2
InChIKeyDNYMHNJCGIZLFA-UHFFFAOYSA-N
XLogP2.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine
CID 84688704
N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55048482
N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
1-(cyclopentylmethyl)imidazole-2-carboxylic acid
CID 84665405
3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
CID 115106970
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine
CID 64780055
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282
2-[2-(cyclopentylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 84665709
1-(cyclobutylmethyl)-N-ethylimidazol-2-amine
CID 106561466

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine (CID 84687148) is 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine is NCCCc1nccn1CC1CCCCC1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine?
The InChIKey is DNYMHNJCGIZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c14-8-4-7-13-15-9-10-16(13)11-12-5-2-1-3-6-12/h9-10,12H,1-8,11,14H2.
What are the key properties of 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine?
3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 84687148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).