2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine

C12H21N3 — CID 82895962

IUPAC2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCn1cncc1C(N)CC1CCCCC1
InChIInChI=1S/C12H21N3/c1-15-9-14-8-12(15)11(13)7-10-5-3-2-4-6-10/h8-11H,2-7,13H2,1H3
InChIKeyAVVPWEXNLJECHE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.39
Rot. Bonds3

About 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine

2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 82895962) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID82895962
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCn1cncc1C(N)CC1CCCCC1
InChIInChI=1S/C12H21N3/c1-15-9-14-8-12(15)11(13)7-10-5-3-2-4-6-10/h8-11H,2-7,13H2,1H3
InChIKeyAVVPWEXNLJECHE-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431
cyclopentyl-(3-methylimidazol-4-yl)methanol
CID 66118415
1-cycloheptyl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82932122
(2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine
CID 82896494
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
2-cyclopentyl-1-(3-propylimidazol-4-yl)ethanol
CID 66129443
1-(3-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 82895309
(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol
CID 66117130
(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
CID 104943185
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine (CID 82895962) is 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine is Cn1cncc1C(N)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is AVVPWEXNLJECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-15-9-14-8-12(15)11(13)7-10-5-3-2-4-6-10/h8-11H,2-7,13H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine?
2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 82895962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).