3-(3-cyclohexylimidazol-4-yl)propan-1-amine

C12H21N3 — CID 83883482

IUPAC3-(3-cyclohexylimidazol-4-yl)propan-1-amine
SMILESNCCCc1cncn1C1CCCCC1
InChIInChI=1S/C12H21N3/c13-8-4-7-12-9-14-10-15(12)11-5-2-1-3-6-11/h9-11H,1-8,13H2
InChIKeyUGINJLXFMYNBIH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds4

About 3-(3-cyclohexylimidazol-4-yl)propan-1-amine

3-(3-cyclohexylimidazol-4-yl)propan-1-amine (PubChem CID 83883482) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(3-cyclohexylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-cyclohexylimidazol-4-yl)propan-1-amine
PubChem CID83883482
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(3-cyclohexylimidazol-4-yl)propan-1-amine
SMILESNCCCc1cncn1C1CCCCC1
InChIInChI=1S/C12H21N3/c13-8-4-7-12-9-14-10-15(12)11-5-2-1-3-6-11/h9-11H,1-8,13H2
InChIKeyUGINJLXFMYNBIH-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
2-[3-(thian-4-yl)imidazol-4-yl]ethanamine
CID 84734602
2-(3-piperidin-3-ylimidazol-4-yl)ethanamine
CID 84733201
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
2-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114720388
3-(1-cyclohexylpyrrol-2-yl)propan-1-amine
CID 170879046
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
2-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 114722524
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
[3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride
CID 131637564

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexylimidazol-4-yl)propan-1-amine?
The IUPAC name of 3-(3-cyclohexylimidazol-4-yl)propan-1-amine (CID 83883482) is 3-(3-cyclohexylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(3-cyclohexylimidazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(3-cyclohexylimidazol-4-yl)propan-1-amine is NCCCc1cncn1C1CCCCC1.
What is the InChIKey of 3-(3-cyclohexylimidazol-4-yl)propan-1-amine?
The InChIKey is UGINJLXFMYNBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-8-4-7-12-9-14-10-15(12)11-5-2-1-3-6-11/h9-11H,1-8,13H2.
What are the key properties of 3-(3-cyclohexylimidazol-4-yl)propan-1-amine?
3-(3-cyclohexylimidazol-4-yl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 83883482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).