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

C16H29N3O — CID 106577719

IUPAC1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C1CCCC(C)(C)C1
InChIInChI=1S/C16H29N3O/c1-13-12-19(14-7-5-8-16(2,3)11-14)15(18-13)17-9-6-10-20-4/h12,14H,5-11H2,1-4H3,(H,17,18)
InChIKeyQEEPZSBSPJXDGT-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.78
Rot. Bonds6

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

1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106577719) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106577719
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C1CCCC(C)(C)C1
InChIInChI=1S/C16H29N3O/c1-13-12-19(14-7-5-8-16(2,3)11-14)15(18-13)17-9-6-10-20-4/h12,14H,5-11H2,1-4H3,(H,17,18)
InChIKeyQEEPZSBSPJXDGT-UHFFFAOYSA-N
XLogP3.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564767
N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine
CID 106566514
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565750
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568244

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106577719) is 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCNc1nc(C)cn1C1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is QEEPZSBSPJXDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-12-19(14-7-5-8-16(2,3)11-14)15(18-13)17-9-6-10-20-4/h12,14H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106577719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).