3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile

C9H19N2OP — CID 155072191

IUPAC3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile
SMILESCC(C)N(C(C)C)C(CC#N)OP
InChIInChI=1S/C9H19N2OP/c1-7(2)11(8(3)4)9(12-13)5-6-10/h7-9H,5,13H2,1-4H3
InChIKeyLOPOHUQZTBNKOM-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.15
Rot. Bonds5

About 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile

3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile (PubChem CID 155072191) has the molecular formula C9H19N2OP and a molecular weight of 202.24 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile
PubChem CID155072191
Molecular FormulaC9H19N2OP
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile
SMILESCC(C)N(C(C)C)C(CC#N)OP
InChIInChI=1S/C9H19N2OP/c1-7(2)11(8(3)4)9(12-13)5-6-10/h7-9H,5,13H2,1-4H3
InChIKeyLOPOHUQZTBNKOM-UHFFFAOYSA-N
XLogP2.15
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile
CID 57271550
3-phosphanyloxyhexanenitrile
CID 18736618
3-chloro-3-[di(propan-2-yl)amino]oxypropanenitrile
CID 173300259
CID 172716670
CID 172716670
N,N-di(propan-2-yl)propan-2-amine;hydrate
CID 173081552
(3S)-3-aminobutanenitrile
CID 51418887
3-[propan-2-yl(propyl)amino]butanenitrile
CID 60914318
(3S)-4-methoxy-3-methylbutanenitrile
CID 87592746
3-[1-methoxypropan-2-yl(methyl)amino]butanenitrile
CID 61451257
3-[ethyl(propan-2-yl)amino]pentanenitrile
CID 43265764
3-(3-methylpentan-2-ylamino)pentanenitrile
CID 61463482
3-(1-cyanopropan-2-ylsulfanyl)butanenitrile
CID 131859837

Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile?
The IUPAC name of 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile (CID 155072191) is 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile.
What is the SMILES notation for 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile?
The canonical SMILES for 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile is CC(C)N(C(C)C)C(CC#N)OP.
What is the InChIKey of 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile?
The InChIKey is LOPOHUQZTBNKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2OP/c1-7(2)11(8(3)4)9(12-13)5-6-10/h7-9H,5,13H2,1-4H3.
What are the key properties of 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile?
3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile has a molecular weight of 202.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]-3-phosphanyloxypropanenitrile is sourced from PubChem (CID 155072191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).