N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine

C15H27N3 — CID 66147974

IUPACN-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1CC1CCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)8-16-9-15-10-17-12-18(15)11-14-6-4-3-5-7-14/h10,12-14,16H,3-9,11H2,1-2H3
InChIKeyVOJSWMJQJZYFMC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds6

About N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66147974) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66147974
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1CC1CCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)8-16-9-15-10-17-12-18(15)11-14-6-4-3-5-7-14/h10,12-14,16H,3-9,11H2,1-2H3
InChIKeyVOJSWMJQJZYFMC-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66147974) is N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncn1CC1CCCCC1.
What is the InChIKey of N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VOJSWMJQJZYFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)8-16-9-15-10-17-12-18(15)11-14-6-4-3-5-7-14/h10,12-14,16H,3-9,11H2,1-2H3.
What are the key properties of N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66147974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).