2-hexyl-1,3,5-diazaphosphinine

C9H15N2P — CID 174848227

IUPAC2-hexyl-1,3,5-diazaphosphinine
SMILESCCCCCCc1ncpcn1
InChIInChI=1S/C9H15N2P/c1-2-3-4-5-6-9-10-7-12-8-11-9/h7-8H,2-6H2,1H3
InChIKeyFXOQDRBKJOANPI-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.18
Rot. Bonds5

About 2-hexyl-1,3,5-diazaphosphinine

2-hexyl-1,3,5-diazaphosphinine (PubChem CID 174848227) has the molecular formula C9H15N2P and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-hexyl-1,3,5-diazaphosphinine.

Molecular Properties

Compound Name2-hexyl-1,3,5-diazaphosphinine
PubChem CID174848227
Molecular FormulaC9H15N2P
Molecular Weight182.21 g/mol
Exact Mass182.10
IUPAC Name2-hexyl-1,3,5-diazaphosphinine
SMILESCCCCCCc1ncpcn1
InChIInChI=1S/C9H15N2P/c1-2-3-4-5-6-9-10-7-12-8-11-9/h7-8H,2-6H2,1H3
InChIKeyFXOQDRBKJOANPI-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonylpyrimidine
CID 23297050
2-dodecylpyrimidine;methane
CID 174491203
2-heptyl-1,3,5-triazine;hydrofluoride
CID 174939388
5-bromo-2-hexylpyrimidine
CID 122446219
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2-butyl-4,6-didodecylpyrimidine
CID 91545608
2-butyl-4,6-dihexylpyrimidine
CID 91010912
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,3,5-diazaphosphinine?
The IUPAC name of 2-hexyl-1,3,5-diazaphosphinine (CID 174848227) is 2-hexyl-1,3,5-diazaphosphinine.
What is the SMILES notation for 2-hexyl-1,3,5-diazaphosphinine?
The canonical SMILES for 2-hexyl-1,3,5-diazaphosphinine is CCCCCCc1ncpcn1.
What is the InChIKey of 2-hexyl-1,3,5-diazaphosphinine?
The InChIKey is FXOQDRBKJOANPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2P/c1-2-3-4-5-6-9-10-7-12-8-11-9/h7-8H,2-6H2,1H3.
What are the key properties of 2-hexyl-1,3,5-diazaphosphinine?
2-hexyl-1,3,5-diazaphosphinine has a molecular weight of 182.21 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,3,5-diazaphosphinine is sourced from PubChem (CID 174848227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).