1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine

C15H27N3 — CID 107189965

IUPAC1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)C1CCCCC1(C)C
InChIInChI=1S/C15H27N3/c1-15(2)8-6-5-7-12(15)13(16-3)11-14-17-9-10-18(14)4/h9-10,12-13,16H,5-8,11H2,1-4H3
InChIKeyWBSQXORFZWODOF-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds4

About 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine

1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 107189965) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID107189965
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)C1CCCCC1(C)C
InChIInChI=1S/C15H27N3/c1-15(2)8-6-5-7-12(15)13(16-3)11-14-17-9-10-18(14)4/h9-10,12-13,16H,5-8,11H2,1-4H3
InChIKeyWBSQXORFZWODOF-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-dimethylcyclopentyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107194392
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
N-methyl-1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011656
1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 107190116
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 107004749
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79752220
N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622951
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
N-methyl-1-(3-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79762232
1-(3-ethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79761386
1-(2,2-dimethylcyclopropyl)-2-(1-methylimidazol-2-yl)ethanol
CID 107005402
1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 107189619

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine (CID 107189965) is 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine is CNC(Cc1nccn1C)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is WBSQXORFZWODOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2)8-6-5-7-12(15)13(16-3)11-14-17-9-10-18(14)4/h9-10,12-13,16H,5-8,11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 107189965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).