N-diaminophosphorylnaphthalen-1-amine

C10H12N3OP — CID 24887891

IUPACN-diaminophosphorylnaphthalen-1-amine
SMILESNP(N)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C10H12N3OP/c11-15(12,14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H5,11,12,13,14)
InChIKeyBRZFBMLIQRCZBU-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.28
Rot. Bonds2

About N-diaminophosphorylnaphthalen-1-amine

N-diaminophosphorylnaphthalen-1-amine (PubChem CID 24887891) has the molecular formula C10H12N3OP and a molecular weight of 221.20 g/mol. Its IUPAC name is N-diaminophosphorylnaphthalen-1-amine.

Molecular Properties

Compound NameN-diaminophosphorylnaphthalen-1-amine
PubChem CID24887891
Molecular FormulaC10H12N3OP
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC NameN-diaminophosphorylnaphthalen-1-amine
SMILESNP(N)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C10H12N3OP/c11-15(12,14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H5,11,12,13,14)
InChIKeyBRZFBMLIQRCZBU-UHFFFAOYSA-N
XLogP2.28
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-diaminophosphorylnaphthalen-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphorylnaphthalen-1-amine?
The IUPAC name of N-diaminophosphorylnaphthalen-1-amine (CID 24887891) is N-diaminophosphorylnaphthalen-1-amine.
What is the SMILES notation for N-diaminophosphorylnaphthalen-1-amine?
The canonical SMILES for N-diaminophosphorylnaphthalen-1-amine is NP(N)(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-diaminophosphorylnaphthalen-1-amine?
The InChIKey is BRZFBMLIQRCZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3OP/c11-15(12,14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H5,11,12,13,14).
What are the key properties of N-diaminophosphorylnaphthalen-1-amine?
N-diaminophosphorylnaphthalen-1-amine has a molecular weight of 221.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphorylnaphthalen-1-amine is sourced from PubChem (CID 24887891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).