1H-imidazole;octan-2-amine

C11H23N3 — CID 22649828

IUPAC1H-imidazole;octan-2-amine
SMILESCCCCCCC(C)N.c1c[nH]cn1
InChIInChI=1S/C8H19N.C3H4N2/c1-3-4-5-6-7-8(2)9;1-2-5-3-4-1/h8H,3-7,9H2,1-2H3;1-3H,(H,4,5)
InChIKeyJPFNURXBZLVAGI-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.71
Rot. Bonds5

About 1H-imidazole;octan-2-amine

1H-imidazole;octan-2-amine (PubChem CID 22649828) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1H-imidazole;octan-2-amine.

Molecular Properties

Compound Name1H-imidazole;octan-2-amine
PubChem CID22649828
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1H-imidazole;octan-2-amine
SMILESCCCCCCC(C)N.c1c[nH]cn1
InChIInChI=1S/C8H19N.C3H4N2/c1-3-4-5-6-7-8(2)9;1-2-5-3-4-1/h8H,3-7,9H2,1-2H3;1-3H,(H,4,5)
InChIKeyJPFNURXBZLVAGI-UHFFFAOYSA-N
XLogP2.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1H-imidazole;octan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
1H-imidazole;tetrabutylazanium
CID 175066888
1H-imidazole;nonadecan-4-yl iodate
CID 162220747
nonadecane-2,14-diamine
CID 89095951
anisole;1H-imidazole;methyl(trioctyl)phosphanium
CID 174834352
dodecan-1-amine;dodecan-2-amine
CID 88815564
6-methylnonadecan-2-amine
CID 54497673
fluorophosphonic acid;1H-imidazole;4-nonan-4-yloxynonane
CID 175422157

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;octan-2-amine?
The IUPAC name of 1H-imidazole;octan-2-amine (CID 22649828) is 1H-imidazole;octan-2-amine.
What is the SMILES notation for 1H-imidazole;octan-2-amine?
The canonical SMILES for 1H-imidazole;octan-2-amine is CCCCCCC(C)N.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;octan-2-amine?
The InChIKey is JPFNURXBZLVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C3H4N2/c1-3-4-5-6-7-8(2)9;1-2-5-3-4-1/h8H,3-7,9H2,1-2H3;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;octan-2-amine?
1H-imidazole;octan-2-amine has a molecular weight of 197.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;octan-2-amine is sourced from PubChem (CID 22649828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).