2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine

C13H32NO9P3 — CID 23727445

IUPAC2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine
SMILESCOP(=O)(OC)C(CC(P(=O)(OC)OC)P(=O)(OC)OC)NC(C)(C)C
InChIInChI=1S/C13H32NO9P3/c1-13(2,3)14-11(24(15,18-4)19-5)10-12(25(16,20-6)21-7)26(17,22-8)23-9/h11-12,14H,10H2,1-9H3
InChIKeyYQIDACHUFWUNSD-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.87
Rot. Bonds12

About 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine

2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine (PubChem CID 23727445) has the molecular formula C13H32NO9P3 and a molecular weight of 439.32 g/mol. Its IUPAC name is 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine
PubChem CID23727445
Molecular FormulaC13H32NO9P3
Molecular Weight439.32 g/mol
Exact Mass439.13
IUPAC Name2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine
SMILESCOP(=O)(OC)C(CC(P(=O)(OC)OC)P(=O)(OC)OC)NC(C)(C)C
InChIInChI=1S/C13H32NO9P3/c1-13(2,3)14-11(24(15,18-4)19-5)10-12(25(16,20-6)21-7)26(17,22-8)23-9/h11-12,14H,10H2,1-9H3
InChIKeyYQIDACHUFWUNSD-UHFFFAOYSA-N
XLogP3.87
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(dimethoxyphosphoryl)propanal
CID 19418486
methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
methyl (2S)-2-dimethoxyphosphorylpropanoate
CID 124577703
1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol
CID 175019166
(E)-1-dimethoxyphosphorylbut-2-en-1-ol
CID 5470785
methyl 2-dimethoxyphosphoryl-2-formamidoacetate
CID 14840773
1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene
CID 10193691
3,3-bis(dimethoxyphosphoryl)propoxybenzene
CID 10215479
N-tert-butyl-1,5-bis(dimethoxyphosphoryl)-2,4-diphenylpentan-3-amine
CID 102102974
N-tert-butyl-1-[ethoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-amine
CID 91369124
CID 59071497
CID 59071497
(4S)-4-(tert-butylamino)-6-methoxy-2,2-dimethylhexan-3-one
CID 138500390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine (CID 23727445) is 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine is COP(=O)(OC)C(CC(P(=O)(OC)OC)P(=O)(OC)OC)NC(C)(C)C.
What is the InChIKey of 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine?
The InChIKey is YQIDACHUFWUNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32NO9P3/c1-13(2,3)14-11(24(15,18-4)19-5)10-12(25(16,20-6)21-7)26(17,22-8)23-9/h11-12,14H,10H2,1-9H3.
What are the key properties of 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine?
2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine has a molecular weight of 439.32 g/mol, XLogP of 3.87, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1,3,3-tris(dimethoxyphosphoryl)propyl]propan-2-amine is sourced from PubChem (CID 23727445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).