ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine

C9H19N3 — CID 142295385

IUPACethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
SMILESCC.CNCCCc1ncc[nH]1
InChIInChI=1S/C7H13N3.C2H6/c1-8-4-2-3-7-9-5-6-10-7;1-2/h5-6,8H,2-4H2,1H3,(H,9,10);1-2H3
InChIKeyCZFBXAVZHHYJQU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.59
Rot. Bonds4

About ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine

ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine (PubChem CID 142295385) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
PubChem CID142295385
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
SMILESCC.CNCCCc1ncc[nH]1
InChIInChI=1S/C7H13N3.C2H6/c1-8-4-2-3-7-9-5-6-10-7;1-2/h5-6,8H,2-4H2,1H3,(H,9,10);1-2H3
InChIKeyCZFBXAVZHHYJQU-UHFFFAOYSA-N
XLogP1.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-(1H-imidazol-2-yl)-N-methylpropan-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-butyl-1H-imidazole;hydrochloride
CID 141134528
2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-decyl-1H-imidazole
CID 3089145
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
2-butyl-1H-imidazole;cyclohexane
CID 173413359
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
ethane;2-ethyl-1H-imidazole
CID 144736598

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine (CID 142295385) is ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine is CC.CNCCCc1ncc[nH]1.
What is the InChIKey of ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is CZFBXAVZHHYJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-8-4-2-3-7-9-5-6-10-7;1-2/h5-6,8H,2-4H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine?
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 142295385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).