14-(1H-imidazol-5-yl)tetradecan-1-amine

C17H33N3 — CID 11346501

IUPAC14-(1H-imidazol-5-yl)tetradecan-1-amine
SMILESNCCCCCCCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C17H33N3/c18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-15-19-16-20-17/h15-16H,1-14,18H2,(H,19,20)
InChIKeyNWWFCAFBMXDHNK-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.59
Rot. Bonds14

About 14-(1H-imidazol-5-yl)tetradecan-1-amine

14-(1H-imidazol-5-yl)tetradecan-1-amine (PubChem CID 11346501) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 14-(1H-imidazol-5-yl)tetradecan-1-amine.

Molecular Properties

Compound Name14-(1H-imidazol-5-yl)tetradecan-1-amine
PubChem CID11346501
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name14-(1H-imidazol-5-yl)tetradecan-1-amine
SMILESNCCCCCCCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C17H33N3/c18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-15-19-16-20-17/h15-16H,1-14,18H2,(H,19,20)
InChIKeyNWWFCAFBMXDHNK-UHFFFAOYSA-N
XLogP4.59
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.59
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 14-(1H-imidazol-5-yl)tetradecan-1-amine?
The IUPAC name of 14-(1H-imidazol-5-yl)tetradecan-1-amine (CID 11346501) is 14-(1H-imidazol-5-yl)tetradecan-1-amine.
What is the SMILES notation for 14-(1H-imidazol-5-yl)tetradecan-1-amine?
The canonical SMILES for 14-(1H-imidazol-5-yl)tetradecan-1-amine is NCCCCCCCCCCCCCCc1cnc[nH]1.
What is the InChIKey of 14-(1H-imidazol-5-yl)tetradecan-1-amine?
The InChIKey is NWWFCAFBMXDHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-15-19-16-20-17/h15-16H,1-14,18H2,(H,19,20).
What are the key properties of 14-(1H-imidazol-5-yl)tetradecan-1-amine?
14-(1H-imidazol-5-yl)tetradecan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.59, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(1H-imidazol-5-yl)tetradecan-1-amine is sourced from PubChem (CID 11346501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).