2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine

C15H27N3 — CID 79761258

IUPAC2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(N)Cc2nccn2C)CC1
InChIInChI=1S/C15H27N3/c1-3-4-12-5-7-13(8-6-12)14(16)11-15-17-9-10-18(15)2/h9-10,12-14H,3-8,11,16H2,1-2H3
InChIKeySJNOXKCYTOMASH-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.90
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine

2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine (PubChem CID 79761258) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
PubChem CID79761258
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(N)Cc2nccn2C)CC1
InChIInChI=1S/C15H27N3/c1-3-4-12-5-7-13(8-6-12)14(16)11-15-17-9-10-18(15)2/h9-10,12-14H,3-8,11,16H2,1-2H3
InChIKeySJNOXKCYTOMASH-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761510
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761385
(1-methylimidazol-2-yl)-(4-propylcyclohexyl)methanamine
CID 65423372
1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530310
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011503
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 115580373
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105167192
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753
[4-cyclopentyl-1-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105322962
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
[2-(1-methylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232616

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine (CID 79761258) is 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine is CCCC1CCC(C(N)Cc2nccn2C)CC1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine?
The InChIKey is SJNOXKCYTOMASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-4-12-5-7-13(8-6-12)14(16)11-15-17-9-10-18(15)2/h9-10,12-14H,3-8,11,16H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine?
2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine is sourced from PubChem (CID 79761258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).