13-(1H-imidazol-5-yl)tridecan-1-amine

C16H31N3 — CID 11288570

IUPAC13-(1H-imidazol-5-yl)tridecan-1-amine
SMILESNCCCCCCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C16H31N3/c17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-14-18-15-19-16/h14-15H,1-13,17H2,(H,18,19)
InChIKeyVNMMBNWUESETSJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.20
Rot. Bonds13

About 13-(1H-imidazol-5-yl)tridecan-1-amine

13-(1H-imidazol-5-yl)tridecan-1-amine (PubChem CID 11288570) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 13-(1H-imidazol-5-yl)tridecan-1-amine.

Molecular Properties

Compound Name13-(1H-imidazol-5-yl)tridecan-1-amine
PubChem CID11288570
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name13-(1H-imidazol-5-yl)tridecan-1-amine
SMILESNCCCCCCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C16H31N3/c17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-14-18-15-19-16/h14-15H,1-13,17H2,(H,18,19)
InChIKeyVNMMBNWUESETSJ-UHFFFAOYSA-N
XLogP4.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.20
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 13-(1H-imidazol-5-yl)tridecan-1-amine?
The IUPAC name of 13-(1H-imidazol-5-yl)tridecan-1-amine (CID 11288570) is 13-(1H-imidazol-5-yl)tridecan-1-amine.
What is the SMILES notation for 13-(1H-imidazol-5-yl)tridecan-1-amine?
The canonical SMILES for 13-(1H-imidazol-5-yl)tridecan-1-amine is NCCCCCCCCCCCCCc1cnc[nH]1.
What is the InChIKey of 13-(1H-imidazol-5-yl)tridecan-1-amine?
The InChIKey is VNMMBNWUESETSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-14-18-15-19-16/h14-15H,1-13,17H2,(H,18,19).
What are the key properties of 13-(1H-imidazol-5-yl)tridecan-1-amine?
13-(1H-imidazol-5-yl)tridecan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.20, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(1H-imidazol-5-yl)tridecan-1-amine is sourced from PubChem (CID 11288570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).