4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine

C11H21N3 — CID 11679993

IUPAC4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-10(2)7-12-6-4-3-5-11-8-13-9-14-11/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyWZFHAECSSWEURN-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.98
Rot. Bonds7

About 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine

4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 11679993) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID11679993
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-10(2)7-12-6-4-3-5-11-8-13-9-14-11/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyWZFHAECSSWEURN-UHFFFAOYSA-N
XLogP1.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine (CID 11679993) is 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCc1cnc[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is WZFHAECSSWEURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)7-12-6-4-3-5-11-8-13-9-14-11/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine?
4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 11679993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).