N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

C16H29N3O — CID 106563359

IUPACN-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCCC1CCCCC1
InChIInChI=1S/C16H29N3O/c1-14-13-19(11-6-12-20-2)16(18-14)17-10-9-15-7-4-3-5-8-15/h13,15H,3-12H2,1-2H3,(H,17,18)
InChIKeyWSAVOMDOJJAVHG-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.61
Rot. Bonds8

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

N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106563359) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106563359
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCCC1CCCCC1
InChIInChI=1S/C16H29N3O/c1-14-13-19(11-6-12-20-2)16(18-14)17-10-9-15-7-4-3-5-8-15/h13,15H,3-12H2,1-2H3,(H,17,18)
InChIKeyWSAVOMDOJJAVHG-UHFFFAOYSA-N
XLogP3.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyclohexylethyl)-1-(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-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106575804
N-(2-cyclohexylethyl)-1-ethyl-4-methylimidazol-2-amine
CID 106563379
N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine
CID 106580756
N-(2-cyclopentyloxyethyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106573155
1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563052
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-(2-methoxyethyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572059
1-(3-methoxypropyl)-4-methyl-N-(2-morpholin-4-ylethyl)imidazol-2-amine
CID 106559331
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106563359) is N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCn1cc(C)nc1NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is WSAVOMDOJJAVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-14-13-19(11-6-12-20-2)16(18-14)17-10-9-15-7-4-3-5-8-15/h13,15H,3-12H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106563359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).