azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C10H19N2P — CID 175101128

IUPACazane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESN.P.c1cnc2c(c1)CCCCC2
InChIInChI=1S/C10H13N.H3N.H3P/c1-2-5-9-6-4-8-11-10(9)7-3-1;;/h4,6,8H,1-3,5,7H2;2*1H3
InChIKeyCHIIROCQYAQDPN-UHFFFAOYSA-N
MW198.25 g/mol
LogP2.57
Rot. Bonds

About azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 175101128) has the molecular formula C10H19N2P and a molecular weight of 198.25 g/mol. Its IUPAC name is azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Nameazane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID175101128
Molecular FormulaC10H19N2P
Molecular Weight198.25 g/mol
Exact Mass198.13
IUPAC Nameazane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESN.P.c1cnc2c(c1)CCCCC2
InChIInChI=1S/C10H13N.H3N.H3P/c1-2-5-9-6-4-8-11-10(9)7-3-1;;/h4,6,8H,1-3,5,7H2;2*1H3
InChIKeyCHIIROCQYAQDPN-UHFFFAOYSA-N
XLogP2.57
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
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;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 175101128) is azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is N.P.c1cnc2c(c1)CCCCC2.
What is the InChIKey of azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is CHIIROCQYAQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.H3N.H3P/c1-2-5-9-6-4-8-11-10(9)7-3-1;;/h4,6,8H,1-3,5,7H2;2*1H3.
What are the key properties of azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 198.25 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 175101128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).