16-pyridin-3-ylhexadec-7-yn-1-amine

C21H34N2 — CID 10448383

IUPAC16-pyridin-3-ylhexadec-7-yn-1-amine
SMILESNCCCCCCC#CCCCCCCCCc1cccnc1
InChIInChI=1S/C21H34N2/c22-18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-21-17-15-19-23-20-21/h15,17,19-20H,1,3,5-14,16,18,22H2
InChIKeyAQLWXOUEHFQEHZ-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.27
Rot. Bonds13

About 16-pyridin-3-ylhexadec-7-yn-1-amine

16-pyridin-3-ylhexadec-7-yn-1-amine (PubChem CID 10448383) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 16-pyridin-3-ylhexadec-7-yn-1-amine.

Molecular Properties

Compound Name16-pyridin-3-ylhexadec-7-yn-1-amine
PubChem CID10448383
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name16-pyridin-3-ylhexadec-7-yn-1-amine
SMILESNCCCCCCC#CCCCCCCCCc1cccnc1
InChIInChI=1S/C21H34N2/c22-18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-21-17-15-19-23-20-21/h15,17,19-20H,1,3,5-14,16,18,22H2
InChIKeyAQLWXOUEHFQEHZ-UHFFFAOYSA-N
XLogP5.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-pyridin-3-yloctan-1-ol
CID 11830623
3-(14-methylpentadecyl)pyridine
CID 19697272
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
10-pyrimidin-5-yldecan-1-amine
CID 151901245
2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine
CID 158079207
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine
CID 162624144
(E)-N-methoxy-N-methyl-18-pyridin-3-yloctadec-11-en-13-yn-1-amine
CID 10452637
3-(5-methylhexyl)pyridine
CID 54316004
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719

Frequently Asked Questions

What is the IUPAC name of 16-pyridin-3-ylhexadec-7-yn-1-amine?
The IUPAC name of 16-pyridin-3-ylhexadec-7-yn-1-amine (CID 10448383) is 16-pyridin-3-ylhexadec-7-yn-1-amine.
What is the SMILES notation for 16-pyridin-3-ylhexadec-7-yn-1-amine?
The canonical SMILES for 16-pyridin-3-ylhexadec-7-yn-1-amine is NCCCCCCC#CCCCCCCCCc1cccnc1.
What is the InChIKey of 16-pyridin-3-ylhexadec-7-yn-1-amine?
The InChIKey is AQLWXOUEHFQEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c22-18-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-21-17-15-19-23-20-21/h15,17,19-20H,1,3,5-14,16,18,22H2.
What are the key properties of 16-pyridin-3-ylhexadec-7-yn-1-amine?
16-pyridin-3-ylhexadec-7-yn-1-amine has a molecular weight of 314.52 g/mol, XLogP of 5.27, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-pyridin-3-ylhexadec-7-yn-1-amine is sourced from PubChem (CID 10448383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).