3-bis(propan-2-ylamino)phosphanyloxypropanenitrile

C9H20N3OP — CID 10013594

IUPAC3-bis(propan-2-ylamino)phosphanyloxypropanenitrile
SMILESCC(C)NP(NC(C)C)OCCC#N
InChIInChI=1S/C9H20N3OP/c1-8(2)11-14(12-9(3)4)13-7-5-6-10/h8-9,11-12H,5,7H2,1-4H3
InChIKeyPMUNLBUOYJENIV-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.14
Rot. Bonds7

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

3-bis(propan-2-ylamino)phosphanyloxypropanenitrile (PubChem CID 10013594) has the molecular formula C9H20N3OP and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-bis(propan-2-ylamino)phosphanyloxypropanenitrile.

Molecular Properties

Compound Name3-bis(propan-2-ylamino)phosphanyloxypropanenitrile
PubChem CID10013594
Molecular FormulaC9H20N3OP
Molecular Weight217.25 g/mol
Exact Mass217.13
IUPAC Name3-bis(propan-2-ylamino)phosphanyloxypropanenitrile
SMILESCC(C)NP(NC(C)C)OCCC#N
InChIInChI=1S/C9H20N3OP/c1-8(2)11-14(12-9(3)4)13-7-5-6-10/h8-9,11-12H,5,7H2,1-4H3
InChIKeyPMUNLBUOYJENIV-UHFFFAOYSA-N
XLogP2.14
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-cyanoethyl dipropan-2-yl phosphite
CID 22619650
3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;ethane;N-propan-2-ylpropan-2-amine
CID 170630587
3-bis(propan-2-ylamino)phosphanylpropanenitrile
CID 140990079
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropanenitrile;methylhydrazine
CID 170783738
3-[methyl(methylaminomethoxy)phosphanyl]oxypropanenitrile
CID 58689682
3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
CID 54224854

Frequently Asked Questions

What is the IUPAC name of 3-bis(propan-2-ylamino)phosphanyloxypropanenitrile?
The IUPAC name of 3-bis(propan-2-ylamino)phosphanyloxypropanenitrile (CID 10013594) is 3-bis(propan-2-ylamino)phosphanyloxypropanenitrile.
What is the SMILES notation for 3-bis(propan-2-ylamino)phosphanyloxypropanenitrile?
The canonical SMILES for 3-bis(propan-2-ylamino)phosphanyloxypropanenitrile is CC(C)NP(NC(C)C)OCCC#N.
What is the InChIKey of 3-bis(propan-2-ylamino)phosphanyloxypropanenitrile?
The InChIKey is PMUNLBUOYJENIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N3OP/c1-8(2)11-14(12-9(3)4)13-7-5-6-10/h8-9,11-12H,5,7H2,1-4H3.
What are the key properties of 3-bis(propan-2-ylamino)phosphanyloxypropanenitrile?
3-bis(propan-2-ylamino)phosphanyloxypropanenitrile has a molecular weight of 217.25 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis(propan-2-ylamino)phosphanyloxypropanenitrile is sourced from PubChem (CID 10013594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).