4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile

C13H27N2P — CID 166822142

IUPAC4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile
SMILESCCCP(CCCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C13H27N2P/c1-6-10-16(11-8-7-9-14)15(12(2)3)13(4)5/h12-13H,6-8,10-11H2,1-5H3
InChIKeyLRHHCPJSFNQVFU-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.22
Rot. Bonds8

About 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile

4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile (PubChem CID 166822142) has the molecular formula C13H27N2P and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile.

Molecular Properties

Compound Name4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile
PubChem CID166822142
Molecular FormulaC13H27N2P
Molecular Weight242.35 g/mol
Exact Mass242.19
IUPAC Name4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile
SMILESCCCP(CCCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C13H27N2P/c1-6-10-16(11-8-7-9-14)15(12(2)3)13(4)5/h12-13H,6-8,10-11H2,1-5H3
InChIKeyLRHHCPJSFNQVFU-UHFFFAOYSA-N
XLogP4.22
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 55208074
3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile
CID 163597117
3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035
octadecanenitrile
CID 12532
undecanenitrile
CID 16722
2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid
CID 167509215
3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile
CID 87149823
3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile
CID 57019271
3-[2,2-dioctadecylicosoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 102131459
3-[[di(propan-2-yl)amino]-(2-ethylsulfonylethoxy)phosphanyl]oxypropanenitrile
CID 76660393
dibutyl-(3-cyanopropyl)-methylazanium
CID 59019089

Frequently Asked Questions

What is the IUPAC name of 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile?
The IUPAC name of 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile (CID 166822142) is 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile.
What is the SMILES notation for 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile?
The canonical SMILES for 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile is CCCP(CCCC#N)N(C(C)C)C(C)C.
What is the InChIKey of 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile?
The InChIKey is LRHHCPJSFNQVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2P/c1-6-10-16(11-8-7-9-14)15(12(2)3)13(4)5/h12-13H,6-8,10-11H2,1-5H3.
What are the key properties of 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile?
4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile has a molecular weight of 242.35 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile is sourced from PubChem (CID 166822142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).