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

C15H27N3O — CID 106574608

IUPAC1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1C1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3O/c1-12-5-6-14(11-13(12)2)18-9-8-17-15(18)16-7-4-10-19-3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,16,17)
InChIKeyXHUJHFAYFYJVPJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.33
Rot. Bonds6

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

1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106574608) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106574608
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1C1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3O/c1-12-5-6-14(11-13(12)2)18-9-8-17-15(18)16-7-4-10-19-3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,16,17)
InChIKeyXHUJHFAYFYJVPJ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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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Related Compounds

N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
CID 106581840
1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106564758
1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine
CID 106574581
N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine
CID 106574575
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561605
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
N-butyl-1-(3-methylcyclohexyl)imidazol-2-amine
CID 106561726
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571770
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine
CID 106581425
N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106574592

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine (CID 106574608) is 1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is XHUJHFAYFYJVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-5-6-14(11-13(12)2)18-9-8-17-15(18)16-7-4-10-19-3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,16,17).
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine?
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106574608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).