ethane;5-propan-2-yl-1H-imidazol-2-amine

C8H17N3 — CID 163265952

IUPACethane;5-propan-2-yl-1H-imidazol-2-amine
SMILESCC.CC(C)c1cnc(N)[nH]1
InChIInChI=1S/C6H11N3.C2H6/c1-4(2)5-3-8-6(7)9-5;1-2/h3-4H,1-2H3,(H3,7,8,9);1-2H3
InChIKeyGLXOHKHSAISALO-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.14
Rot. Bonds1

About ethane;5-propan-2-yl-1H-imidazol-2-amine

ethane;5-propan-2-yl-1H-imidazol-2-amine (PubChem CID 163265952) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1H-imidazol-2-amine.

Molecular Properties

Compound Nameethane;5-propan-2-yl-1H-imidazol-2-amine
PubChem CID163265952
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Nameethane;5-propan-2-yl-1H-imidazol-2-amine
SMILESCC.CC(C)c1cnc(N)[nH]1
InChIInChI=1S/C6H11N3.C2H6/c1-4(2)5-3-8-6(7)9-5;1-2/h3-4H,1-2H3,(H3,7,8,9);1-2H3
InChIKeyGLXOHKHSAISALO-UHFFFAOYSA-N
XLogP2.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;5-propan-2-yl-1H-imidazol-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

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1H-imidazol-2-amine?
The IUPAC name of ethane;5-propan-2-yl-1H-imidazol-2-amine (CID 163265952) is ethane;5-propan-2-yl-1H-imidazol-2-amine.
What is the SMILES notation for ethane;5-propan-2-yl-1H-imidazol-2-amine?
The canonical SMILES for ethane;5-propan-2-yl-1H-imidazol-2-amine is CC.CC(C)c1cnc(N)[nH]1.
What is the InChIKey of ethane;5-propan-2-yl-1H-imidazol-2-amine?
The InChIKey is GLXOHKHSAISALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.C2H6/c1-4(2)5-3-8-6(7)9-5;1-2/h3-4H,1-2H3,(H3,7,8,9);1-2H3.
What are the key properties of ethane;5-propan-2-yl-1H-imidazol-2-amine?
ethane;5-propan-2-yl-1H-imidazol-2-amine has a molecular weight of 155.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1H-imidazol-2-amine is sourced from PubChem (CID 163265952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).