1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one

C15H33N2O2P — CID 135223612

IUPAC1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one
SMILESCC(C)N(C(C)C)P(CC(=O)CO)N(C(C)C)C(C)C
InChIInChI=1S/C15H33N2O2P/c1-11(2)16(12(3)4)20(10-15(19)9-18)17(13(5)6)14(7)8/h11-14,18H,9-10H2,1-8H3
InChIKeyINSSRYIFJNZTKM-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.10
Rot. Bonds9

About 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one

1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one (PubChem CID 135223612) has the molecular formula C15H33N2O2P and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one
PubChem CID135223612
Molecular FormulaC15H33N2O2P
Molecular Weight304.42 g/mol
Exact Mass304.23
IUPAC Name1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one
SMILESCC(C)N(C(C)C)P(CC(=O)CO)N(C(C)C)C(C)C
InChIInChI=1S/C15H33N2O2P/c1-11(2)16(12(3)4)20(10-15(19)9-18)17(13(5)6)14(7)8/h11-14,18H,9-10H2,1-8H3
InChIKeyINSSRYIFJNZTKM-UHFFFAOYSA-N
XLogP3.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one
CID 135223609
2-[bis(2-hydroxyacetyl)amino]propanamide
CID 141435220
N-carbamoyl-2-hydroxy-N-propan-2-ylacetamide
CID 158203403
1-hydroxyoctane-2,7-dione
CID 19604643
bis(1-hydroxypropan-2-one);4-methylpentan-2-one
CID 88828646
1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
CID 59404270
(3R,4S)-1,3,4-trihydroxypentan-2-one
CID 101111958
1,4-dihydroxy-3-methylpentan-2-one
CID 13081578
1-hydroxypropan-2-one;octahydrate
CID 173282716
CID 174537028
CID 174537028
1-hydroxypropan-2-one;methane
CID 159772503
1-hydroxypropan-2-one;hexahydrate
CID 173077690

Frequently Asked Questions

What is the IUPAC name of 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one?
The IUPAC name of 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one (CID 135223612) is 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one.
What is the SMILES notation for 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one?
The canonical SMILES for 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one is CC(C)N(C(C)C)P(CC(=O)CO)N(C(C)C)C(C)C.
What is the InChIKey of 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one?
The InChIKey is INSSRYIFJNZTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N2O2P/c1-11(2)16(12(3)4)20(10-15(19)9-18)17(13(5)6)14(7)8/h11-14,18H,9-10H2,1-8H3.
What are the key properties of 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one?
1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one has a molecular weight of 304.42 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis[di(propan-2-yl)amino]phosphanyl-3-hydroxypropan-2-one is sourced from PubChem (CID 135223612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).