1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine

C16H29N3O — CID 106571263

IUPAC1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C(C)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-3-20-13-7-10-17-16-18-11-12-19(16)14(2)15-8-5-4-6-9-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,17,18)
InChIKeyGKLQNVZRDUVBKD-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.86
Rot. Bonds8

About 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine

1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106571263) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106571263
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C(C)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-3-20-13-7-10-17-16-18-11-12-19(16)14(2)15-8-5-4-6-9-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,17,18)
InChIKeyGKLQNVZRDUVBKD-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582627
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106562068
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571259
N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572234
1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine
CID 106571277
N-(3-ethoxypropyl)-1-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561960
1-(1-cyclobutylethyl)-N-propan-2-ylimidazol-2-amine
CID 106582705
N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
CID 106581840
N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566544
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106557775

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine (CID 106571263) is 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine is CCOCCCNc1nccn1C(C)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is GKLQNVZRDUVBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-20-13-7-10-17-16-18-11-12-19(16)14(2)15-8-5-4-6-9-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,17,18).
What are the key properties of 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine?
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106571263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).