4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine

C10H19N3 — CID 11600780

IUPAC4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCc1cnc[nH]1
InChIInChI=1S/C10H19N3/c1-9(2)12-6-4-3-5-10-7-11-8-13-10/h7-9,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyUOBXGIKOILQPJJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.73
Rot. Bonds6

About 4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine

4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 11600780) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine
PubChem CID11600780
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCc1cnc[nH]1
InChIInChI=1S/C10H19N3/c1-9(2)12-6-4-3-5-10-7-11-8-13-10/h7-9,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyUOBXGIKOILQPJJ-UHFFFAOYSA-N
XLogP1.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.73
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-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine (CID 11600780) is 4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCCCc1cnc[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is UOBXGIKOILQPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)12-6-4-3-5-10-7-11-8-13-10/h7-9,12H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine?
4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.73, 6 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-propan-2-ylbutan-1-amine is sourced from PubChem (CID 11600780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).