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

C15H32N3P — CID 21260953

IUPAC2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile
SMILESCC(C)N(C(C)C)P(C(C)C#N)N(C(C)C)C(C)C
InChIInChI=1S/C15H32N3P/c1-11(2)17(12(3)4)19(15(9)10-16)18(13(5)6)14(7)8/h11-15H,1-9H3
InChIKeyGZRINNOQHRANMN-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.45
Rot. Bonds7

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

2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile (PubChem CID 21260953) has the molecular formula C15H32N3P and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile.

Molecular Properties

Compound Name2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile
PubChem CID21260953
Molecular FormulaC15H32N3P
Molecular Weight285.42 g/mol
Exact Mass285.23
IUPAC Name2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile
SMILESCC(C)N(C(C)C)P(C(C)C#N)N(C(C)C)C(C)C
InChIInChI=1S/C15H32N3P/c1-11(2)17(12(3)4)19(15(9)10-16)18(13(5)6)14(7)8/h11-15H,1-9H3
InChIKeyGZRINNOQHRANMN-UHFFFAOYSA-N
XLogP4.45
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.45
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 2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile?
The IUPAC name of 2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile (CID 21260953) is 2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile.
What is the SMILES notation for 2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile?
The canonical SMILES for 2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile is CC(C)N(C(C)C)P(C(C)C#N)N(C(C)C)C(C)C.
What is the InChIKey of 2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile?
The InChIKey is GZRINNOQHRANMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N3P/c1-11(2)17(12(3)4)19(15(9)10-16)18(13(5)6)14(7)8/h11-15H,1-9H3.
What are the key properties of 2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile?
2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile has a molecular weight of 285.42 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis[di(propan-2-yl)amino]phosphanylpropanenitrile is sourced from PubChem (CID 21260953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).