3-dihexylphosphanyl-N-methylpyridin-2-amine

C18H33N2P — CID 151750549

IUPAC3-dihexylphosphanyl-N-methylpyridin-2-amine
SMILESCCCCCCP(CCCCCC)c1cccnc1NC
InChIInChI=1S/C18H33N2P/c1-4-6-8-10-15-21(16-11-9-7-5-2)17-13-12-14-20-18(17)19-3/h12-14H,4-11,15-16H2,1-3H3,(H,19,20)
InChIKeyROLHIRUXKZYMQZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP5.39
Rot. Bonds12

About 3-dihexylphosphanyl-N-methylpyridin-2-amine

3-dihexylphosphanyl-N-methylpyridin-2-amine (PubChem CID 151750549) has the molecular formula C18H33N2P and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-dihexylphosphanyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-dihexylphosphanyl-N-methylpyridin-2-amine
PubChem CID151750549
Molecular FormulaC18H33N2P
Molecular Weight308.45 g/mol
Exact Mass308.24
IUPAC Name3-dihexylphosphanyl-N-methylpyridin-2-amine
SMILESCCCCCCP(CCCCCC)c1cccnc1NC
InChIInChI=1S/C18H33N2P/c1-4-6-8-10-15-21(16-11-9-7-5-2)17-13-12-14-20-18(17)19-3/h12-14H,4-11,15-16H2,1-3H3,(H,19,20)
InChIKeyROLHIRUXKZYMQZ-UHFFFAOYSA-N
XLogP5.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dihexylphosphanyl-N-methylpyridin-2-amine?
The IUPAC name of 3-dihexylphosphanyl-N-methylpyridin-2-amine (CID 151750549) is 3-dihexylphosphanyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3-dihexylphosphanyl-N-methylpyridin-2-amine?
The canonical SMILES for 3-dihexylphosphanyl-N-methylpyridin-2-amine is CCCCCCP(CCCCCC)c1cccnc1NC.
What is the InChIKey of 3-dihexylphosphanyl-N-methylpyridin-2-amine?
The InChIKey is ROLHIRUXKZYMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N2P/c1-4-6-8-10-15-21(16-11-9-7-5-2)17-13-12-14-20-18(17)19-3/h12-14H,4-11,15-16H2,1-3H3,(H,19,20).
What are the key properties of 3-dihexylphosphanyl-N-methylpyridin-2-amine?
3-dihexylphosphanyl-N-methylpyridin-2-amine has a molecular weight of 308.45 g/mol, XLogP of 5.39, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dihexylphosphanyl-N-methylpyridin-2-amine is sourced from PubChem (CID 151750549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).