2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine

C15H27N3 — CID 81024634

IUPAC2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
SMILESCn1ccnc1C1CCCCC1CNC(C)(C)C
InChIInChI=1S/C15H27N3/c1-15(2,3)17-11-12-7-5-6-8-13(12)14-16-9-10-18(14)4/h9-10,12-13,17H,5-8,11H2,1-4H3
InChIKeyNIBHHHYOJGPDAM-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.08
Rot. Bonds3

About 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81024634) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
PubChem CID81024634
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
SMILESCn1ccnc1C1CCCCC1CNC(C)(C)C
InChIInChI=1S/C15H27N3/c1-15(2,3)17-11-12-7-5-6-8-13(12)14-16-9-10-18(14)4/h9-10,12-13,17H,5-8,11H2,1-4H3
InChIKeyNIBHHHYOJGPDAM-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031185
N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025904
N-[[2-(1-ethylimidazol-2-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021832
trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 7140327
2-methyl-N-[[2-(1-methylpyrazol-3-yl)cyclopentyl]methyl]propan-2-amine
CID 103132618
N-methyl-2-(1-methylimidazol-2-yl)cycloheptan-1-amine
CID 63977093
N-methyl-1-[2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
CID 81027726
1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine
CID 81026716
N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
CID 81023933
2-cyclopentyl-1-methylimidazole
CID 83382106
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine (CID 81024634) is 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine is Cn1ccnc1C1CCCCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is NIBHHHYOJGPDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)17-11-12-7-5-6-8-13(12)14-16-9-10-18(14)4/h9-10,12-13,17H,5-8,11H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81024634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).