1-(1-octylimidazol-4-yl)propan-2-amine

C14H27N3 — CID 106721019

IUPAC1-(1-octylimidazol-4-yl)propan-2-amine
SMILESCCCCCCCCn1cnc(CC(C)N)c1
InChIInChI=1S/C14H27N3/c1-3-4-5-6-7-8-9-17-11-14(16-12-17)10-13(2)15/h11-13H,3-10,15H2,1-2H3
InChIKeyLYGHYCWMTGNTKQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.13
Rot. Bonds9

About 1-(1-octylimidazol-4-yl)propan-2-amine

1-(1-octylimidazol-4-yl)propan-2-amine (PubChem CID 106721019) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-octylimidazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-octylimidazol-4-yl)propan-2-amine
PubChem CID106721019
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-octylimidazol-4-yl)propan-2-amine
SMILESCCCCCCCCn1cnc(CC(C)N)c1
InChIInChI=1S/C14H27N3/c1-3-4-5-6-7-8-9-17-11-14(16-12-17)10-13(2)15/h11-13H,3-10,15H2,1-2H3
InChIKeyLYGHYCWMTGNTKQ-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

4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
CID 106721187
1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
CID 106721010
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
ethane;4-ethyl-1-pentylimidazole
CID 142090904
(1-pentylimidazol-4-yl)methanol
CID 11147952
(1-butylimidazol-4-yl)methanamine
CID 82467842
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
CID 106721209
1-dodecylimidazol-4-amine
CID 10848375
5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile
CID 106721300
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721198

Frequently Asked Questions

What is the IUPAC name of 1-(1-octylimidazol-4-yl)propan-2-amine?
The IUPAC name of 1-(1-octylimidazol-4-yl)propan-2-amine (CID 106721019) is 1-(1-octylimidazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1-octylimidazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(1-octylimidazol-4-yl)propan-2-amine is CCCCCCCCn1cnc(CC(C)N)c1.
What is the InChIKey of 1-(1-octylimidazol-4-yl)propan-2-amine?
The InChIKey is LYGHYCWMTGNTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-4-5-6-7-8-9-17-11-14(16-12-17)10-13(2)15/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 1-(1-octylimidazol-4-yl)propan-2-amine?
1-(1-octylimidazol-4-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-4-yl)propan-2-amine is sourced from PubChem (CID 106721019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).