4-(1H-imidazol-2-yl)cyclohexan-1-amine

C9H15N3 — CID 45120658

IUPAC4-(1H-imidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C9H15N3/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h5-8H,1-4,10H2,(H,11,12)
InChIKeyDJYYTFMSLFGZJS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.39
Rot. Bonds1

About 4-(1H-imidazol-2-yl)cyclohexan-1-amine

4-(1H-imidazol-2-yl)cyclohexan-1-amine (PubChem CID 45120658) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)cyclohexan-1-amine
PubChem CID45120658
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(1H-imidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C9H15N3/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h5-8H,1-4,10H2,(H,11,12)
InChIKeyDJYYTFMSLFGZJS-UHFFFAOYSA-N
XLogP1.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(1H-imidazol-2-yl)cyclohexan-1-amine (CID 45120658) is 4-(1H-imidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(1H-imidazol-2-yl)cyclohexan-1-amine is NC1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-2-yl)cyclohexan-1-amine?
The InChIKey is DJYYTFMSLFGZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h5-8H,1-4,10H2,(H,11,12).
What are the key properties of 4-(1H-imidazol-2-yl)cyclohexan-1-amine?
4-(1H-imidazol-2-yl)cyclohexan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 45120658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).