bis[di(propan-2-yl)amino]phosphanylformonitrile

C13H28N3P — CID 13486047

IUPACbis[di(propan-2-yl)amino]phosphanylformonitrile
SMILESCC(C)N(C(C)C)P(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C13H28N3P/c1-10(2)15(11(3)4)17(9-14)16(12(5)6)13(7)8/h10-13H,1-8H3
InChIKeyMSXWQIZFEZFNKP-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.02
Rot. Bonds6

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

bis[di(propan-2-yl)amino]phosphanylformonitrile (PubChem CID 13486047) has the molecular formula C13H28N3P and a molecular weight of 257.36 g/mol. Its IUPAC name is bis[di(propan-2-yl)amino]phosphanylformonitrile.

Molecular Properties

Compound Namebis[di(propan-2-yl)amino]phosphanylformonitrile
PubChem CID13486047
Molecular FormulaC13H28N3P
Molecular Weight257.36 g/mol
Exact Mass257.20
IUPAC Namebis[di(propan-2-yl)amino]phosphanylformonitrile
SMILESCC(C)N(C(C)C)P(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C13H28N3P/c1-10(2)15(11(3)4)17(9-14)16(12(5)6)13(7)8/h10-13H,1-8H3
InChIKeyMSXWQIZFEZFNKP-UHFFFAOYSA-N
XLogP4.02
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[di(propan-2-yl)amino]phosphanylformonitrile?
The IUPAC name of bis[di(propan-2-yl)amino]phosphanylformonitrile (CID 13486047) is bis[di(propan-2-yl)amino]phosphanylformonitrile.
What is the SMILES notation for bis[di(propan-2-yl)amino]phosphanylformonitrile?
The canonical SMILES for bis[di(propan-2-yl)amino]phosphanylformonitrile is CC(C)N(C(C)C)P(C#N)N(C(C)C)C(C)C.
What is the InChIKey of bis[di(propan-2-yl)amino]phosphanylformonitrile?
The InChIKey is MSXWQIZFEZFNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N3P/c1-10(2)15(11(3)4)17(9-14)16(12(5)6)13(7)8/h10-13H,1-8H3.
What are the key properties of bis[di(propan-2-yl)amino]phosphanylformonitrile?
bis[di(propan-2-yl)amino]phosphanylformonitrile has a molecular weight of 257.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[di(propan-2-yl)amino]phosphanylformonitrile is sourced from PubChem (CID 13486047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).