N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine

C13H25N3 — CID 114752420

IUPACN-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
SMILESCCCCCCC(Cc1ncc[nH]1)NCC
InChIInChI=1S/C13H25N3/c1-3-5-6-7-8-12(14-4-2)11-13-15-9-10-16-13/h9-10,12,14H,3-8,11H2,1-2H3,(H,15,16)
InChIKeyQJNOCQVIHUPYRI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.90
Rot. Bonds9

About N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine

N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine (PubChem CID 114752420) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
PubChem CID114752420
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
SMILESCCCCCCC(Cc1ncc[nH]1)NCC
InChIInChI=1S/C13H25N3/c1-3-5-6-7-8-12(14-4-2)11-13-15-9-10-16-13/h9-10,12,14H,3-8,11H2,1-2H3,(H,15,16)
InChIKeyQJNOCQVIHUPYRI-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(1H-imidazol-2-yl)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

1-(1H-imidazol-2-yl)-N-methylundecan-2-amine
CID 65450081
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole
CID 67736458
3-(1H-imidazol-2-ylmethyl)undecan-5-ol
CID 161238769
2-decyl-1H-imidazole
CID 3089145
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-octyl-1H-imidazole
CID 18347297
N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine
CID 43493340
N-ethyltetradecan-7-amine
CID 87847195
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
2-(ethylamino)nonan-1-ol
CID 61050713

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine?
The IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine (CID 114752420) is N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine.
What is the SMILES notation for N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine?
The canonical SMILES for N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine is CCCCCCC(Cc1ncc[nH]1)NCC.
What is the InChIKey of N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine?
The InChIKey is QJNOCQVIHUPYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-5-6-7-8-12(14-4-2)11-13-15-9-10-16-13/h9-10,12,14H,3-8,11H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine?
N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine is sourced from PubChem (CID 114752420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).