N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine

C12H23N3 — CID 11572015

IUPACN-butyl-5-(1H-imidazol-5-yl)pentan-1-amine
SMILESCCCCNCCCCCc1cnc[nH]1
InChIInChI=1S/C12H23N3/c1-2-3-8-13-9-6-4-5-7-12-10-14-11-15-12/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyMEOKXROUBIRKJZ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.51
Rot. Bonds9

About N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine

N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine (PubChem CID 11572015) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine.

Molecular Properties

Compound NameN-butyl-5-(1H-imidazol-5-yl)pentan-1-amine
PubChem CID11572015
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-butyl-5-(1H-imidazol-5-yl)pentan-1-amine
SMILESCCCCNCCCCCc1cnc[nH]1
InChIInChI=1S/C12H23N3/c1-2-3-8-13-9-6-4-5-7-12-10-14-11-15-12/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyMEOKXROUBIRKJZ-UHFFFAOYSA-N
XLogP2.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.51
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 N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine?
The IUPAC name of N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine (CID 11572015) is N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine.
What is the SMILES notation for N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine?
The canonical SMILES for N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine is CCCCNCCCCCc1cnc[nH]1.
What is the InChIKey of N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine?
The InChIKey is MEOKXROUBIRKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-3-8-13-9-6-4-5-7-12-10-14-11-15-12/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine?
N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine is sourced from PubChem (CID 11572015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).