azane;1H-azepine;phosphane

C6H13N2P — CID 175205335

IUPACazane;1H-azepine;phosphane
SMILESC1=CC=CNC=C1.N.P
InChIInChI=1S/C6H7N.H3N.H3P/c1-2-4-6-7-5-3-1;;/h1-7H;2*1H3
InChIKeyDQHWIOCRQWIIHL-UHFFFAOYSA-N
MW144.16 g/mol
LogP1.39
Rot. Bonds

About azane;1H-azepine;phosphane

azane;1H-azepine;phosphane (PubChem CID 175205335) has the molecular formula C6H13N2P and a molecular weight of 144.16 g/mol. Its IUPAC name is azane;1H-azepine;phosphane.

Molecular Properties

Compound Nameazane;1H-azepine;phosphane
PubChem CID175205335
Molecular FormulaC6H13N2P
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Nameazane;1H-azepine;phosphane
SMILESC1=CC=CNC=C1.N.P
InChIInChI=1S/C6H7N.H3N.H3P/c1-2-4-6-7-5-3-1;;/h1-7H;2*1H3
InChIKeyDQHWIOCRQWIIHL-UHFFFAOYSA-N
XLogP1.39
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;1H-azepine;phosphane?
The IUPAC name of azane;1H-azepine;phosphane (CID 175205335) is azane;1H-azepine;phosphane.
What is the SMILES notation for azane;1H-azepine;phosphane?
The canonical SMILES for azane;1H-azepine;phosphane is C1=CC=CNC=C1.N.P.
What is the InChIKey of azane;1H-azepine;phosphane?
The InChIKey is DQHWIOCRQWIIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.H3N.H3P/c1-2-4-6-7-5-3-1;;/h1-7H;2*1H3.
What are the key properties of azane;1H-azepine;phosphane?
azane;1H-azepine;phosphane has a molecular weight of 144.16 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1H-azepine;phosphane is sourced from PubChem (CID 175205335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).