1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine

C17H31N3O — CID 106566481

IUPAC1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine
SMILESCCCC1CCC(Nc2nccn2CCCOCC)CC1
InChIInChI=1S/C17H31N3O/c1-3-6-15-7-9-16(10-8-15)19-17-18-11-13-20(17)12-5-14-21-4-2/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,18,19)
InChIKeyWGGHHNXAKFUQFW-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.08
Rot. Bonds9

About 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine

1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine (PubChem CID 106566481) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine
PubChem CID106566481
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine
SMILESCCCC1CCC(Nc2nccn2CCCOCC)CC1
InChIInChI=1S/C17H31N3O/c1-3-6-15-7-9-16(10-8-15)19-17-18-11-13-20(17)12-5-14-21-4-2/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,18,19)
InChIKeyWGGHHNXAKFUQFW-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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-(4-ethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564321
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
1-(3-methoxypropyl)-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560148
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine
CID 106561587
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106574592
N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
CID 106581825
1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944
N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580550
1-(3-methoxypropyl)-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574312

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine (CID 106566481) is 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine is CCCC1CCC(Nc2nccn2CCCOCC)CC1.
What is the InChIKey of 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine?
The InChIKey is WGGHHNXAKFUQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-6-15-7-9-16(10-8-15)19-17-18-11-13-20(17)12-5-14-21-4-2/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine?
1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine is sourced from PubChem (CID 106566481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).