N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine

C17H31N3O — CID 106574360

IUPACN-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCCOCCCNc1nccn1CCC1CCCC(C)C1
InChIInChI=1S/C17H31N3O/c1-3-21-13-5-9-18-17-19-10-12-20(17)11-8-16-7-4-6-15(2)14-16/h10,12,15-16H,3-9,11,13-14H2,1-2H3,(H,18,19)
InChIKeyJXRIUQWFXPNYRF-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.94
Rot. Bonds9

About N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine

N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine (PubChem CID 106574360) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
PubChem CID106574360
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCCOCCCNc1nccn1CCC1CCCC(C)C1
InChIInChI=1S/C17H31N3O/c1-3-21-13-5-9-18-17-19-10-12-20(17)11-8-16-7-4-6-15(2)14-16/h10,12,15-16H,3-9,11,13-14H2,1-2H3,(H,18,19)
InChIKeyJXRIUQWFXPNYRF-UHFFFAOYSA-N
XLogP3.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.94
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

1-[2-(3-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574387
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574374
N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
CID 106581840
N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574347
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
1-(2-cyclopropylethyl)-N-propylimidazol-2-amine
CID 106575826
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
CID 106561310
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine (CID 106574360) is N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine is CCOCCCNc1nccn1CCC1CCCC(C)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
The InChIKey is JXRIUQWFXPNYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-21-13-5-9-18-17-19-10-12-20(17)11-8-16-7-4-6-15(2)14-16/h10,12,15-16H,3-9,11,13-14H2,1-2H3,(H,18,19).
What are the key properties of N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106574360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).