2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile

C9H18ClN2P — CID 22172807

IUPAC2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile
SMILESCC(C)N(C(C)C)P(Cl)C(C)C#N
InChIInChI=1S/C9H18ClN2P/c1-7(2)12(8(3)4)13(10)9(5)6-11/h7-9H,1-5H3
InChIKeyKVHMODMDLAWNKC-UHFFFAOYSA-N
MW220.68 g/mol
LogP3.57
Rot. Bonds4

About 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile

2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile (PubChem CID 22172807) has the molecular formula C9H18ClN2P and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile.

Molecular Properties

Compound Name2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile
PubChem CID22172807
Molecular FormulaC9H18ClN2P
Molecular Weight220.68 g/mol
Exact Mass220.09
IUPAC Name2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile
SMILESCC(C)N(C(C)C)P(Cl)C(C)C#N
InChIInChI=1S/C9H18ClN2P/c1-7(2)12(8(3)4)13(10)9(5)6-11/h7-9H,1-5H3
InChIKeyKVHMODMDLAWNKC-UHFFFAOYSA-N
XLogP3.57
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 53.57
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 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile?
The IUPAC name of 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile (CID 22172807) is 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile.
What is the SMILES notation for 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile?
The canonical SMILES for 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile is CC(C)N(C(C)C)P(Cl)C(C)C#N.
What is the InChIKey of 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile?
The InChIKey is KVHMODMDLAWNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN2P/c1-7(2)12(8(3)4)13(10)9(5)6-11/h7-9H,1-5H3.
What are the key properties of 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile?
2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile has a molecular weight of 220.68 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile is sourced from PubChem (CID 22172807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).