azane;tributylphosphane

C12H30NP — CID 87538509

IUPACazane;tributylphosphane
SMILESCCCCP(CCCC)CCCC.N
InChIInChI=1S/C12H27P.H3N/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H3
InChIKeyYJJQUZUMFKEFET-UHFFFAOYSA-N
MW219.35 g/mol
LogP5.03
Rot. Bonds9

About azane;tributylphosphane

azane;tributylphosphane (PubChem CID 87538509) has the molecular formula C12H30NP and a molecular weight of 219.35 g/mol. Its IUPAC name is azane;tributylphosphane.

Molecular Properties

Compound Nameazane;tributylphosphane
PubChem CID87538509
Molecular FormulaC12H30NP
Molecular Weight219.35 g/mol
Exact Mass219.21
IUPAC Nameazane;tributylphosphane
SMILESCCCCP(CCCC)CCCC.N
InChIInChI=1S/C12H27P.H3N/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H3
InChIKeyYJJQUZUMFKEFET-UHFFFAOYSA-N
XLogP5.03
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.35
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 88800341
ruthenium;tetrakis(tributylphosphane)
CID 137286049
nickel;bis(tributylphosphane)
CID 50940317
nickel(2+);tributylphosphane
CID 161451777
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
cobalt;rhodium;tributylphosphane
CID 174653599
platinum;bis(tributylphosphane);dihydrochloride
CID 101088975
dibutyl(tetradecyl)phosphane
CID 118319275
dibutyl(decyl)phosphane
CID 171559269
tripentylphosphane
CID 2784073
azane;trioctylphosphane;hydrobromide
CID 174675093
tributylphosphane;trichlorocobalt
CID 174913282

Frequently Asked Questions

What is the IUPAC name of azane;tributylphosphane?
The IUPAC name of azane;tributylphosphane (CID 87538509) is azane;tributylphosphane.
What is the SMILES notation for azane;tributylphosphane?
The canonical SMILES for azane;tributylphosphane is CCCCP(CCCC)CCCC.N.
What is the InChIKey of azane;tributylphosphane?
The InChIKey is YJJQUZUMFKEFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.H3N/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H3.
What are the key properties of azane;tributylphosphane?
azane;tributylphosphane has a molecular weight of 219.35 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tributylphosphane is sourced from PubChem (CID 87538509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).