4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine

C12H23N3 — CID 62440432

IUPAC4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCn1ccnc1CC
InChIInChI=1S/C12H23N3/c1-3-7-13-8-5-6-10-15-11-9-14-12(15)4-2/h9,11,13H,3-8,10H2,1-2H3
InChIKeyRYGDTPRIEHWUBC-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.23
Rot. Bonds8

About 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine

4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine (PubChem CID 62440432) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
PubChem CID62440432
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCn1ccnc1CC
InChIInChI=1S/C12H23N3/c1-3-7-13-8-5-6-10-15-11-9-14-12(15)4-2/h9,11,13H,3-8,10H2,1-2H3
InChIKeyRYGDTPRIEHWUBC-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-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

2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
3-(2-ethylimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62566094
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
2-ethyl-1-(4-methylsulfanylbutyl)imidazole
CID 141069920
N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62441582
N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073284
2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
CID 115769672
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62565129

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine (CID 62440432) is 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine is CCCNCCCCn1ccnc1CC.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine?
The InChIKey is RYGDTPRIEHWUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-7-13-8-5-6-10-15-11-9-14-12(15)4-2/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine?
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 62440432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).