1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine

C15H27N3O — CID 106561751

IUPAC1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NC1CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-12-6-4-7-14(10-12)17-15-16-13(2)11-18(15)8-5-9-19-3/h11-12,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyQURDCRKNMHPXCH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.22
Rot. Bonds6

About 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine

1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine (PubChem CID 106561751) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine
PubChem CID106561751
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NC1CCCC(C)C1
InChIInChI=1S/C15H27N3O/c1-12-6-4-7-14(10-12)17-15-16-13(2)11-18(15)8-5-9-19-3/h11-12,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyQURDCRKNMHPXCH-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine (CID 106561751) is 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine is COCCCn1cc(C)nc1NC1CCCC(C)C1.
What is the InChIKey of 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine?
The InChIKey is QURDCRKNMHPXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-6-4-7-14(10-12)17-15-16-13(2)11-18(15)8-5-9-19-3/h11-12,14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine?
1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine is sourced from PubChem (CID 106561751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).