N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine

C15H27N3O — CID 106574592

IUPACN-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NC1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3O/c1-12-5-6-14(11-13(12)2)17-15-16-7-9-18(15)8-4-10-19-3/h7,9,12-14H,4-6,8,10-11H2,1-3H3,(H,16,17)
InChIKeyUWNLUOMXDPISNH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.16
Rot. Bonds6

About N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine

N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106574592) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106574592
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NC1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3O/c1-12-5-6-14(11-13(12)2)17-15-16-7-9-18(15)8-4-10-19-3/h7,9,12-14H,4-6,8,10-11H2,1-3H3,(H,16,17)
InChIKeyUWNLUOMXDPISNH-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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 N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine (CID 106574592) is N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is UWNLUOMXDPISNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-5-6-14(11-13(12)2)17-15-16-7-9-18(15)8-4-10-19-3/h7,9,12-14H,4-6,8,10-11H2,1-3H3,(H,16,17).
What are the key properties of N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine?
N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106574592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).