3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile

C15H32N3OP — CID 2735855

IUPAC3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile
SMILESCC(C)N(C(C)C)P(=O)(CCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C15H32N3OP/c1-12(2)17(13(3)4)20(19,11-9-10-16)18(14(5)6)15(7)8/h12-15H,9,11H2,1-8H3
InChIKeyRPHLBWANTYVUFD-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.33
Rot. Bonds8

About 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile

3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile (PubChem CID 2735855) has the molecular formula C15H32N3OP and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile.

Molecular Properties

Compound Name3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile
PubChem CID2735855
Molecular FormulaC15H32N3OP
Molecular Weight301.42 g/mol
Exact Mass301.23
IUPAC Name3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile
SMILESCC(C)N(C(C)C)P(=O)(CCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C15H32N3OP/c1-12(2)17(13(3)4)20(19,11-9-10-16)18(14(5)6)15(7)8/h12-15H,9,11H2,1-8H3
InChIKeyRPHLBWANTYVUFD-UHFFFAOYSA-N
XLogP4.33
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
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 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile?
The IUPAC name of 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile (CID 2735855) is 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile.
What is the SMILES notation for 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile?
The canonical SMILES for 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile is CC(C)N(C(C)C)P(=O)(CCC#N)N(C(C)C)C(C)C.
What is the InChIKey of 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile?
The InChIKey is RPHLBWANTYVUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N3OP/c1-12(2)17(13(3)4)20(19,11-9-10-16)18(14(5)6)15(7)8/h12-15H,9,11H2,1-8H3.
What are the key properties of 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile?
3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile has a molecular weight of 301.42 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile is sourced from PubChem (CID 2735855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).