1-ethyl-N-octylimidazol-2-amine

C13H25N3 — CID 115568972

IUPAC1-ethyl-N-octylimidazol-2-amine
SMILESCCCCCCCCNc1nccn1CC
InChIInChI=1S/C13H25N3/c1-3-5-6-7-8-9-10-14-13-15-11-12-16(13)4-2/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyDUKBXLIKIISOCE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.68
Rot. Bonds9

About 1-ethyl-N-octylimidazol-2-amine

1-ethyl-N-octylimidazol-2-amine (PubChem CID 115568972) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-ethyl-N-octylimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-octylimidazol-2-amine
PubChem CID115568972
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-ethyl-N-octylimidazol-2-amine
SMILESCCCCCCCCNc1nccn1CC
InChIInChI=1S/C13H25N3/c1-3-5-6-7-8-9-10-14-13-15-11-12-16(13)4-2/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyDUKBXLIKIISOCE-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-1-propylimidazol-2-amine
CID 106573792
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
CID 106842674
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-(1-ethylimidazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 62138038
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
CID 62137676
N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
CID 106580890
1-ethyl-N-heptan-2-ylimidazol-2-amine
CID 62137318
N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine
CID 106580940
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106555556

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-octylimidazol-2-amine?
The IUPAC name of 1-ethyl-N-octylimidazol-2-amine (CID 115568972) is 1-ethyl-N-octylimidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-octylimidazol-2-amine?
The canonical SMILES for 1-ethyl-N-octylimidazol-2-amine is CCCCCCCCNc1nccn1CC.
What is the InChIKey of 1-ethyl-N-octylimidazol-2-amine?
The InChIKey is DUKBXLIKIISOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-5-6-7-8-9-10-14-13-15-11-12-16(13)4-2/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-N-octylimidazol-2-amine?
1-ethyl-N-octylimidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-octylimidazol-2-amine is sourced from PubChem (CID 115568972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).