3-bis(propan-2-ylamino)phosphanylpropanenitrile

C9H20N3P — CID 140990079

IUPAC3-bis(propan-2-ylamino)phosphanylpropanenitrile
SMILESCC(C)NP(CCC#N)NC(C)C
InChIInChI=1S/C9H20N3P/c1-8(2)11-13(7-5-6-10)12-9(3)4/h8-9,11-12H,5,7H2,1-4H3
InChIKeyRFSKUCFOSGMNED-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.21
Rot. Bonds6

About 3-bis(propan-2-ylamino)phosphanylpropanenitrile

3-bis(propan-2-ylamino)phosphanylpropanenitrile (PubChem CID 140990079) has the molecular formula C9H20N3P and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-bis(propan-2-ylamino)phosphanylpropanenitrile.

Molecular Properties

Compound Name3-bis(propan-2-ylamino)phosphanylpropanenitrile
PubChem CID140990079
Molecular FormulaC9H20N3P
Molecular Weight201.25 g/mol
Exact Mass201.14
IUPAC Name3-bis(propan-2-ylamino)phosphanylpropanenitrile
SMILESCC(C)NP(CCC#N)NC(C)C
InChIInChI=1S/C9H20N3P/c1-8(2)11-13(7-5-6-10)12-9(3)4/h8-9,11-12H,5,7H2,1-4H3
InChIKeyRFSKUCFOSGMNED-UHFFFAOYSA-N
XLogP2.21
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bis(propan-2-ylamino)phosphanyloxypropanenitrile
CID 10013594
3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile
CID 22507577
2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid
CID 167509215
3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile
CID 57019271
[[3-cyano-1-[di(propan-2-yl)amino]propyl]amino]phosphonous acid
CID 87195101
4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile
CID 166822142
4-methylheptanedinitrile
CID 12673956
3-dibromophosphanylpropanenitrile
CID 151056129
3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;ethane;N-propan-2-ylpropan-2-amine
CID 170630587
2-(2-cyanoethylamino)propanenitrile
CID 154209614
3-(3-methylbutan-2-ylamino)propanenitrile
CID 43183200
6-methylheptanenitrile
CID 22036153

Frequently Asked Questions

What is the IUPAC name of 3-bis(propan-2-ylamino)phosphanylpropanenitrile?
The IUPAC name of 3-bis(propan-2-ylamino)phosphanylpropanenitrile (CID 140990079) is 3-bis(propan-2-ylamino)phosphanylpropanenitrile.
What is the SMILES notation for 3-bis(propan-2-ylamino)phosphanylpropanenitrile?
The canonical SMILES for 3-bis(propan-2-ylamino)phosphanylpropanenitrile is CC(C)NP(CCC#N)NC(C)C.
What is the InChIKey of 3-bis(propan-2-ylamino)phosphanylpropanenitrile?
The InChIKey is RFSKUCFOSGMNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N3P/c1-8(2)11-13(7-5-6-10)12-9(3)4/h8-9,11-12H,5,7H2,1-4H3.
What are the key properties of 3-bis(propan-2-ylamino)phosphanylpropanenitrile?
3-bis(propan-2-ylamino)phosphanylpropanenitrile has a molecular weight of 201.25 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis(propan-2-ylamino)phosphanylpropanenitrile is sourced from PubChem (CID 140990079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).