1-(1-octylimidazol-2-yl)propan-2-amine

C14H27N3 — CID 63096350

IUPAC1-(1-octylimidazol-2-yl)propan-2-amine
SMILESCCCCCCCCn1ccnc1CC(C)N
InChIInChI=1S/C14H27N3/c1-3-4-5-6-7-8-10-17-11-9-16-14(17)12-13(2)15/h9,11,13H,3-8,10,12,15H2,1-2H3
InChIKeyCUFQHCCEWFHYJO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.13
Rot. Bonds9

About 1-(1-octylimidazol-2-yl)propan-2-amine

1-(1-octylimidazol-2-yl)propan-2-amine (PubChem CID 63096350) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-octylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-octylimidazol-2-yl)propan-2-amine
PubChem CID63096350
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-octylimidazol-2-yl)propan-2-amine
SMILESCCCCCCCCn1ccnc1CC(C)N
InChIInChI=1S/C14H27N3/c1-3-4-5-6-7-8-10-17-11-9-16-14(17)12-13(2)15/h9,11,13H,3-8,10,12,15H2,1-2H3
InChIKeyCUFQHCCEWFHYJO-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.13
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

1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1,2-di(pentadecyl)imidazole
CID 69388452
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
1-dodecyl-2-(methoxymethyl)imidazole
CID 102458627
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine
CID 55181651
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809

Frequently Asked Questions

What is the IUPAC name of 1-(1-octylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(1-octylimidazol-2-yl)propan-2-amine (CID 63096350) is 1-(1-octylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1-octylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(1-octylimidazol-2-yl)propan-2-amine is CCCCCCCCn1ccnc1CC(C)N.
What is the InChIKey of 1-(1-octylimidazol-2-yl)propan-2-amine?
The InChIKey is CUFQHCCEWFHYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-4-5-6-7-8-10-17-11-9-16-14(17)12-13(2)15/h9,11,13H,3-8,10,12,15H2,1-2H3.
What are the key properties of 1-(1-octylimidazol-2-yl)propan-2-amine?
1-(1-octylimidazol-2-yl)propan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-octylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 63096350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).