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

C9H18ClN2P — CID 10977000

IUPAC3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile
SMILESCC(C)N(C(C)C)P(Cl)CCC#N
InChIInChI=1S/C9H18ClN2P/c1-8(2)12(9(3)4)13(10)7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyMNZDCOHDXOTQON-UHFFFAOYSA-N
MW220.68 g/mol
LogP3.57
Rot. Bonds5

About 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile

3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile (PubChem CID 10977000) has the molecular formula C9H18ClN2P and a molecular weight of 220.68 g/mol. Its IUPAC name is 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile.

Molecular Properties

Compound Name3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile
PubChem CID10977000
Molecular FormulaC9H18ClN2P
Molecular Weight220.68 g/mol
Exact Mass220.09
IUPAC Name3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile
SMILESCC(C)N(C(C)C)P(Cl)CCC#N
InChIInChI=1S/C9H18ClN2P/c1-8(2)12(9(3)4)13(10)7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyMNZDCOHDXOTQON-UHFFFAOYSA-N
XLogP3.57
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile?
The IUPAC name of 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile (CID 10977000) is 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile.
What is the SMILES notation for 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile?
The canonical SMILES for 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile is CC(C)N(C(C)C)P(Cl)CCC#N.
What is the InChIKey of 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile?
The InChIKey is MNZDCOHDXOTQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN2P/c1-8(2)12(9(3)4)13(10)7-5-6-11/h8-9H,5,7H2,1-4H3.
What are the key properties of 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile?
3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile has a molecular weight of 220.68 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-[di(propan-2-yl)amino]phosphanyl]propanenitrile is sourced from PubChem (CID 10977000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).