dicyano-bis[di(propan-2-yl)amino]phosphanium

C14H28N4P+ — CID 24975528

IUPACdicyano-bis[di(propan-2-yl)amino]phosphanium
SMILESCC(C)N(C(C)C)[P+](C#N)(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C14H28N4P/c1-11(2)17(12(3)4)19(9-15,10-16)18(13(5)6)14(7)8/h11-14H,1-8H3/q+1
InChIKeyKMLSQYUBBKMTIE-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.03
Rot. Bonds6

About dicyano-bis[di(propan-2-yl)amino]phosphanium

dicyano-bis[di(propan-2-yl)amino]phosphanium (PubChem CID 24975528) has the molecular formula C14H28N4P+ and a molecular weight of 283.38 g/mol. Its IUPAC name is dicyano-bis[di(propan-2-yl)amino]phosphanium.

Molecular Properties

Compound Namedicyano-bis[di(propan-2-yl)amino]phosphanium
PubChem CID24975528
Molecular FormulaC14H28N4P+
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Namedicyano-bis[di(propan-2-yl)amino]phosphanium
SMILESCC(C)N(C(C)C)[P+](C#N)(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C14H28N4P/c1-11(2)17(12(3)4)19(9-15,10-16)18(13(5)6)14(7)8/h11-14H,1-8H3/q+1
InChIKeyKMLSQYUBBKMTIE-UHFFFAOYSA-N
XLogP4.03
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyano-bis[di(propan-2-yl)amino]phosphanium?
The IUPAC name of dicyano-bis[di(propan-2-yl)amino]phosphanium (CID 24975528) is dicyano-bis[di(propan-2-yl)amino]phosphanium.
What is the SMILES notation for dicyano-bis[di(propan-2-yl)amino]phosphanium?
The canonical SMILES for dicyano-bis[di(propan-2-yl)amino]phosphanium is CC(C)N(C(C)C)[P+](C#N)(C#N)N(C(C)C)C(C)C.
What is the InChIKey of dicyano-bis[di(propan-2-yl)amino]phosphanium?
The InChIKey is KMLSQYUBBKMTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4P/c1-11(2)17(12(3)4)19(9-15,10-16)18(13(5)6)14(7)8/h11-14H,1-8H3/q+1.
What are the key properties of dicyano-bis[di(propan-2-yl)amino]phosphanium?
dicyano-bis[di(propan-2-yl)amino]phosphanium has a molecular weight of 283.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyano-bis[di(propan-2-yl)amino]phosphanium is sourced from PubChem (CID 24975528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).