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

C9H18ClN2P — CID 87743753

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

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

3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile (PubChem CID 87743753) has the molecular formula C9H18ClN2P and a molecular weight of 220.68 g/mol. Its IUPAC name is 3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile.

Molecular Properties

Compound Name3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile
PubChem CID87743753
Molecular FormulaC9H18ClN2P
Molecular Weight220.68 g/mol
Exact Mass220.09
IUPAC Name3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile
SMILESCC(C)P(C(C)C)N(Cl)CCC#N
InChIInChI=1S/C9H18ClN2P/c1-8(2)13(9(3)4)12(10)7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyJLMDZOUEBOGHLX-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': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035
3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile
CID 22507577
3-[6-chlorohexyl(propan-2-yl)amino]propanenitrile
CID 62229326
5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
CID 55028946
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
6-[di(propan-2-yl)amino]hexanenitrile
CID 151784240
4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile
CID 166822142
3-[2-oxopropyl(propan-2-yl)amino]propanenitrile
CID 62036211
3-[4-[2-cyanoethyl(methyl)amino]butyl-methylamino]propanenitrile
CID 71396739
4-(dimethylamino)butanenitrile;hydrobromide
CID 46786342
4-methylheptanedinitrile
CID 12673956
N-(2-cyanoethyl)-N-methylcarbamoyl chloride
CID 54246845

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile?
The IUPAC name of 3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile (CID 87743753) is 3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile.
What is the SMILES notation for 3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile?
The canonical SMILES for 3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile is CC(C)P(C(C)C)N(Cl)CCC#N.
What is the InChIKey of 3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile?
The InChIKey is JLMDZOUEBOGHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN2P/c1-8(2)13(9(3)4)12(10)7-5-6-11/h8-9H,5,7H2,1-4H3.
What are the key properties of 3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile?
3-[chloro-di(propan-2-yl)phosphanylamino]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)phosphanylamino]propanenitrile is sourced from PubChem (CID 87743753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).