N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine

C15H27N3 — CID 107428805

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCCc2ncc[nH]2)C1
InChIInChI=1S/C15H27N3/c1-12(2)10-13-4-3-5-14(11-13)16-7-6-15-17-8-9-18-15/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,17,18)
InChIKeyLXKNOICEDKWWHE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine

N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428805) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428805
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCCc2ncc[nH]2)C1
InChIInChI=1S/C15H27N3/c1-12(2)10-13-4-3-5-14(11-13)16-7-6-15-17-8-9-18-15/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,17,18)
InChIKeyLXKNOICEDKWWHE-UHFFFAOYSA-N
XLogP3.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428805) is N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(NCCc2ncc[nH]2)C1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is LXKNOICEDKWWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)10-13-4-3-5-14(11-13)16-7-6-15-17-8-9-18-15/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).