N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine

C18H31N3 — CID 106574374

IUPACN-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCC1CCCC(CCn2ccnc2NC2CCCCC2)C1
InChIInChI=1S/C18H31N3/c1-15-6-5-7-16(14-15)10-12-21-13-11-19-18(21)20-17-8-3-2-4-9-17/h11,13,15-17H,2-10,12,14H2,1H3,(H,19,20)
InChIKeyKCZVHPTYICKJDG-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.84
Rot. Bonds5

About N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine

N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine (PubChem CID 106574374) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
PubChem CID106574374
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCC1CCCC(CCn2ccnc2NC2CCCCC2)C1
InChIInChI=1S/C18H31N3/c1-15-6-5-7-16(14-15)10-12-21-13-11-19-18(21)20-17-8-3-2-4-9-17/h11,13,15-17H,2-10,12,14H2,1H3,(H,19,20)
InChIKeyKCZVHPTYICKJDG-UHFFFAOYSA-N
XLogP4.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine (CID 106574374) is N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine is CC1CCCC(CCn2ccnc2NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
The InChIKey is KCZVHPTYICKJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15-6-5-7-16(14-15)10-12-21-13-11-19-18(21)20-17-8-3-2-4-9-17/h11,13,15-17H,2-10,12,14H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine has a molecular weight of 289.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106574374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).