1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine

C15H27N3 — CID 114530310

IUPAC1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCC1CCC(C(N)CCc2nccn2C)CC1
InChIInChI=1S/C15H27N3/c1-3-12-4-6-13(7-5-12)14(16)8-9-15-17-10-11-18(15)2/h10-14H,3-9,16H2,1-2H3
InChIKeyPKKJBQGQWKDVKU-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 114530310) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID114530310
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCC1CCC(C(N)CCc2nccn2C)CC1
InChIInChI=1S/C15H27N3/c1-3-12-4-6-13(7-5-12)14(16)8-9-15-17-10-11-18(15)2/h10-14H,3-9,16H2,1-2H3
InChIKeyPKKJBQGQWKDVKU-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-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761258
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole
CID 114532199
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
[1-cycloheptyl-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105340281
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 114530310) is 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine is CCC1CCC(C(N)CCc2nccn2C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is PKKJBQGQWKDVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-12-4-6-13(7-5-12)14(16)8-9-15-17-10-11-18(15)2/h10-14H,3-9,16H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine 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 1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114530310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).