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

C15H27N3 — CID 66150150

IUPACN-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC1CCC(Cn2cncc2CNC(C)C)CC1
InChIInChI=1S/C15H27N3/c1-12(2)17-9-15-8-16-11-18(15)10-14-6-4-13(3)5-7-14/h8,11-14,17H,4-7,9-10H2,1-3H3
InChIKeyAVINUYLHMMEWQL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds5

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

N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66150150) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66150150
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC1CCC(Cn2cncc2CNC(C)C)CC1
InChIInChI=1S/C15H27N3/c1-12(2)17-9-15-8-16-11-18(15)10-14-6-4-13(3)5-7-14/h8,11-14,17H,4-7,9-10H2,1-3H3
InChIKeyAVINUYLHMMEWQL-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147976
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150946
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 66149073
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
[3-(cyclobutylmethyl)imidazol-4-yl]methanol
CID 66150823
N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151207
N-[[3-(2-methylcyclopentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151196

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 66150150) is N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine is CC1CCC(Cn2cncc2CNC(C)C)CC1.
What is the InChIKey of N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is AVINUYLHMMEWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)17-9-15-8-16-11-18(15)10-14-6-4-13(3)5-7-14/h8,11-14,17H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66150150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).