1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

C13H23N3O — CID 106571408

IUPAC1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C1CCC1
InChIInChI=1S/C13H23N3O/c1-3-17-9-5-8-14-13-15-11(2)10-16(13)12-6-4-7-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyWQMGJCNDEDQLDI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.76
Rot. Bonds7

About 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106571408) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106571408
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C1CCC1
InChIInChI=1S/C13H23N3O/c1-3-17-9-5-8-14-13-15-11(2)10-16(13)12-6-4-7-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyWQMGJCNDEDQLDI-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.76
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-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
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
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine
CID 106566514
1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568244
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-(3,3-dimethylcyclohexyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577719
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
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571259

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106571408) is 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCNc1nc(C)cn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is WQMGJCNDEDQLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-17-9-5-8-14-13-15-11(2)10-16(13)12-6-4-7-12/h10,12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106571408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).