4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine

C13H23N3 — CID 106574336

IUPAC4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCc1cn(CCC2CCC(C)CC2)c(N)n1
InChIInChI=1S/C13H23N3/c1-10-3-5-12(6-4-10)7-8-16-9-11(2)15-13(16)14/h9-10,12H,3-8H2,1-2H3,(H2,14,15)
InChIKeyGYKNHTBIEXNQHN-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.99
Rot. Bonds3

About 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine

4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine (PubChem CID 106574336) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
PubChem CID106574336
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCc1cn(CCC2CCC(C)CC2)c(N)n1
InChIInChI=1S/C13H23N3/c1-10-3-5-12(6-4-10)7-8-16-9-11(2)15-13(16)14/h9-10,12H,3-8H2,1-2H3,(H2,14,15)
InChIKeyGYKNHTBIEXNQHN-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine (CID 106574336) is 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine is Cc1cn(CCC2CCC(C)CC2)c(N)n1.
What is the InChIKey of 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
The InChIKey is GYKNHTBIEXNQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-3-5-12(6-4-10)7-8-16-9-11(2)15-13(16)14/h9-10,12H,3-8H2,1-2H3,(H2,14,15).
What are the key properties of 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine?
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106574336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).