N-phosphanyl-1-pyridin-4-ylmethanamine

C6H9N2P — CID 144767456

IUPACN-phosphanyl-1-pyridin-4-ylmethanamine
SMILESPNCc1ccncc1
InChIInChI=1S/C6H9N2P/c9-8-5-6-1-3-7-4-2-6/h1-4,8H,5,9H2
InChIKeyUPYLHPJMMXTFPR-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.96
Rot. Bonds2

About N-phosphanyl-1-pyridin-4-ylmethanamine

N-phosphanyl-1-pyridin-4-ylmethanamine (PubChem CID 144767456) has the molecular formula C6H9N2P and a molecular weight of 140.13 g/mol. Its IUPAC name is N-phosphanyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-phosphanyl-1-pyridin-4-ylmethanamine
PubChem CID144767456
Molecular FormulaC6H9N2P
Molecular Weight140.13 g/mol
Exact Mass140.05
IUPAC NameN-phosphanyl-1-pyridin-4-ylmethanamine
SMILESPNCc1ccncc1
InChIInChI=1S/C6H9N2P/c9-8-5-6-1-3-7-4-2-6/h1-4,8H,5,9H2
InChIKeyUPYLHPJMMXTFPR-UHFFFAOYSA-N
XLogP0.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phosphanyl-1-pyridin-4-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine
CID 1049
Ethionamide
CID 2761171
Anabasine
CID 205586
3-Methylpyridine
CID 7970
Nornicotine
CID 91462
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
2-Amino-4-methylpyridine
CID 1533
2-Pyridineethanamine
CID 75919

Frequently Asked Questions

What is the IUPAC name of N-phosphanyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-phosphanyl-1-pyridin-4-ylmethanamine (CID 144767456) is N-phosphanyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-phosphanyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-phosphanyl-1-pyridin-4-ylmethanamine is PNCc1ccncc1.
What is the InChIKey of N-phosphanyl-1-pyridin-4-ylmethanamine?
The InChIKey is UPYLHPJMMXTFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2P/c9-8-5-6-1-3-7-4-2-6/h1-4,8H,5,9H2.
What are the key properties of N-phosphanyl-1-pyridin-4-ylmethanamine?
N-phosphanyl-1-pyridin-4-ylmethanamine has a molecular weight of 140.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phosphanyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 144767456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).