N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C12H29NO4P2 — CID 166559478

IUPACN-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCOP(=O)(CP(OC)N(C(C)C)C(C)C)OCC
InChIInChI=1S/C12H29NO4P2/c1-8-16-19(14,17-9-2)10-18(15-7)13(11(3)4)12(5)6/h11-12H,8-10H2,1-7H3
InChIKeyHUVCBBMHJOJGEL-UHFFFAOYSA-N
MW313.32 g/mol
LogP4.29
Rot. Bonds10

About N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 166559478) has the molecular formula C12H29NO4P2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID166559478
Molecular FormulaC12H29NO4P2
Molecular Weight313.32 g/mol
Exact Mass313.16
IUPAC NameN-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCOP(=O)(CP(OC)N(C(C)C)C(C)C)OCC
InChIInChI=1S/C12H29NO4P2/c1-8-16-19(14,17-9-2)10-18(15-7)13(11(3)4)12(5)6/h11-12H,8-10H2,1-7H3
InChIKeyHUVCBBMHJOJGEL-UHFFFAOYSA-N
XLogP4.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O-ethyl-O'-(2-diisopropylaminoethyl)methylphosphonite
CID 51437
Diethyl methyl diethylamidodiphosphate
CID 12236
HC 4131
CID 11227
O-isopropyl N,N-diisopropylamidocyanophosphate
CID 129769150
Diethyl {[(diethoxyphosphorothioyl)(ethyl)amino]methyl}phosphonate
CID 3840360
Phosphonic acid, [[bis(1-methylethyl)amino]methyl]-, diethyl ester
CID 4489500
Tetraisopropylpyrophosphoric acid amide
CID 53795199
DI-Tert-butyl (((diisopropylamino)(methoxy)phosphanyl)methyl)phosphonate
CID 142470787
Propyl N,N-diisopropylphosphoramidocyanidate
CID 583940
O-(2-Diisopropylaminoethyl) methylphosphinic acid
CID 6329279
N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine
CID 24741652
N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine
CID 24741655

Frequently Asked Questions

What is the IUPAC name of N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 166559478) is N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is CCOP(=O)(CP(OC)N(C(C)C)C(C)C)OCC.
What is the InChIKey of N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is HUVCBBMHJOJGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO4P2/c1-8-16-19(14,17-9-2)10-18(15-7)13(11(3)4)12(5)6/h11-12H,8-10H2,1-7H3.
What are the key properties of N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 313.32 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 166559478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).