N-(15,15-dimethylhexadecyl)pyridin-4-amine

C23H42N2 — CID 173437597

IUPACN-(15,15-dimethylhexadecyl)pyridin-4-amine
SMILESCC(C)(C)CCCCCCCCCCCCCCNc1ccncc1
InChIInChI=1S/C23H42N2/c1-23(2,3)18-14-12-10-8-6-4-5-7-9-11-13-15-19-25-22-16-20-24-21-17-22/h16-17,20-21H,4-15,18-19H2,1-3H3,(H,24,25)
InChIKeyUZAGILUFUIJFPL-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.61
Rot. Bonds15

About N-(15,15-dimethylhexadecyl)pyridin-4-amine

N-(15,15-dimethylhexadecyl)pyridin-4-amine (PubChem CID 173437597) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is N-(15,15-dimethylhexadecyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(15,15-dimethylhexadecyl)pyridin-4-amine
PubChem CID173437597
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC NameN-(15,15-dimethylhexadecyl)pyridin-4-amine
SMILESCC(C)(C)CCCCCCCCCCCCCCNc1ccncc1
InChIInChI=1S/C23H42N2/c1-23(2,3)18-14-12-10-8-6-4-5-7-9-11-13-15-19-25-22-16-20-24-21-17-22/h16-17,20-21H,4-15,18-19H2,1-3H3,(H,24,25)
InChIKeyUZAGILUFUIJFPL-UHFFFAOYSA-N
XLogP7.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.61
H-Bond Donors ≤ 51
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-(15,15-dimethylhexadecyl)pyridin-4-amine?
The IUPAC name of N-(15,15-dimethylhexadecyl)pyridin-4-amine (CID 173437597) is N-(15,15-dimethylhexadecyl)pyridin-4-amine.
What is the SMILES notation for N-(15,15-dimethylhexadecyl)pyridin-4-amine?
The canonical SMILES for N-(15,15-dimethylhexadecyl)pyridin-4-amine is CC(C)(C)CCCCCCCCCCCCCCNc1ccncc1.
What is the InChIKey of N-(15,15-dimethylhexadecyl)pyridin-4-amine?
The InChIKey is UZAGILUFUIJFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2/c1-23(2,3)18-14-12-10-8-6-4-5-7-9-11-13-15-19-25-22-16-20-24-21-17-22/h16-17,20-21H,4-15,18-19H2,1-3H3,(H,24,25).
What are the key properties of N-(15,15-dimethylhexadecyl)pyridin-4-amine?
N-(15,15-dimethylhexadecyl)pyridin-4-amine has a molecular weight of 346.60 g/mol, XLogP of 7.61, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(15,15-dimethylhexadecyl)pyridin-4-amine is sourced from PubChem (CID 173437597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).