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

C15H27N3 — CID 66146727

IUPAC2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC1CCCC(n2cncc2CNC(C)(C)C)C1
InChIInChI=1S/C15H27N3/c1-12-6-5-7-13(8-12)18-11-16-9-14(18)10-17-15(2,3)4/h9,11-13,17H,5-8,10H2,1-4H3
InChIKeyWMPFEKAETKZEPX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds3

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

2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66146727) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66146727
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC1CCCC(n2cncc2CNC(C)(C)C)C1
InChIInChI=1S/C15H27N3/c1-12-6-5-7-13(8-12)18-11-16-9-14(18)10-17-15(2,3)4/h9,11-13,17H,5-8,10H2,1-4H3
InChIKeyWMPFEKAETKZEPX-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-cyclopropylimidazol-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 66164873
N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152248
N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66150941
N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66150324
2-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 114722524
N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150176
1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
CID 66149552
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412322
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114130251
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
2-[(3-cyclopropylimidazol-4-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790960
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine (CID 66146727) is 2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine is CC1CCCC(n2cncc2CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is WMPFEKAETKZEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-6-5-7-13(8-12)18-11-16-9-14(18)10-17-15(2,3)4/h9,11-13,17H,5-8,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66146727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).