N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine

C15H27N3 — CID 66150176

IUPACN-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCCC1CCCC(n2cncc2CNC(C)C)C1
InChIInChI=1S/C15H27N3/c1-4-13-6-5-7-14(8-13)18-11-16-9-15(18)10-17-12(2)3/h9,11-14,17H,4-8,10H2,1-3H3
InChIKeyVDSQHLWGFAXVJO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds5

About N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine

N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66150176) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66150176
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCCC1CCCC(n2cncc2CNC(C)C)C1
InChIInChI=1S/C15H27N3/c1-4-13-6-5-7-14(8-13)18-11-16-9-15(18)10-17-12(2)3/h9,11-14,17H,4-8,10H2,1-3H3
InChIKeyVDSQHLWGFAXVJO-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152248
(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine
CID 104943270
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66152227
N-[[3-(2-methylcyclopentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151196
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114899
3-[3-(3-ethylcyclohexyl)imidazol-4-yl]pyridin-4-amine
CID 114720875
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147976
2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146727
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
CID 104868868
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine (CID 66150176) is N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine is CCC1CCCC(n2cncc2CNC(C)C)C1.
What is the InChIKey of N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is VDSQHLWGFAXVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-13-6-5-7-14(8-13)18-11-16-9-15(18)10-17-12(2)3/h9,11-14,17H,4-8,10H2,1-3H3.
What are the key properties of N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66150176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).