1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine

C15H29N3O — CID 106572232

IUPAC1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NC(C)C(CC)CC
InChIInChI=1S/C15H29N3O/c1-5-14(6-2)13(4)17-15-16-9-11-18(15)10-8-12-19-7-3/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,16,17)
InChIKeyFSDRKCIYUHZACA-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.55
Rot. Bonds10

About 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine

1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine (PubChem CID 106572232) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
PubChem CID106572232
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NC(C)C(CC)CC
InChIInChI=1S/C15H29N3O/c1-5-14(6-2)13(4)17-15-16-9-11-18(15)10-8-12-19-7-3/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,16,17)
InChIKeyFSDRKCIYUHZACA-UHFFFAOYSA-N
XLogP3.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.55
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-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944
3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 106567739
1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine
CID 106564650
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
N-(1-ethoxypropan-2-yl)-1-propylimidazol-2-amine
CID 106565346
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine (CID 106572232) is 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine is CCOCCCn1ccnc1NC(C)C(CC)CC.
What is the InChIKey of 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine?
The InChIKey is FSDRKCIYUHZACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-14(6-2)13(4)17-15-16-9-11-18(15)10-8-12-19-7-3/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,16,17).
What are the key properties of 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine?
1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106572232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).