N,3-bis(diethoxyphosphoryl)propan-1-amine

C11H27NO6P2 — CID 12557390

IUPACN,3-bis(diethoxyphosphoryl)propan-1-amine
SMILESCCOP(=O)(CCCNP(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H27NO6P2/c1-5-15-19(13,16-6-2)11-9-10-12-20(14,17-7-3)18-8-4/h5-11H2,1-4H3,(H,12,14)
InChIKeyRTVSFPOAMQNEAG-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.41
Rot. Bonds13

About N,3-bis(diethoxyphosphoryl)propan-1-amine

N,3-bis(diethoxyphosphoryl)propan-1-amine (PubChem CID 12557390) has the molecular formula C11H27NO6P2 and a molecular weight of 331.29 g/mol. Its IUPAC name is N,3-bis(diethoxyphosphoryl)propan-1-amine.

Molecular Properties

Compound NameN,3-bis(diethoxyphosphoryl)propan-1-amine
PubChem CID12557390
Molecular FormulaC11H27NO6P2
Molecular Weight331.29 g/mol
Exact Mass331.13
IUPAC NameN,3-bis(diethoxyphosphoryl)propan-1-amine
SMILESCCOP(=O)(CCCNP(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H27NO6P2/c1-5-15-19(13,16-6-2)11-9-10-12-20(14,17-7-3)18-8-4/h5-11H2,1-4H3,(H,12,14)
InChIKeyRTVSFPOAMQNEAG-UHFFFAOYSA-N
XLogP3.41
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
9-[ethoxy(iodomethoxy)phosphoryl]-N-methylnonan-1-amine
CID 146259268
8-diethoxyphosphoryloctan-1-ol
CID 10515886
6-(2-diethoxyphosphorylethylamino)hexan-1-ol
CID 175947298
4-diethoxyphosphorylbutanehydrazide
CID 156632548
5-diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
6-diethoxyphosphorylhexan-3-one
CID 91326618
5-diethoxyphosphorylpentanenitrile
CID 54374059
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258

Frequently Asked Questions

What is the IUPAC name of N,3-bis(diethoxyphosphoryl)propan-1-amine?
The IUPAC name of N,3-bis(diethoxyphosphoryl)propan-1-amine (CID 12557390) is N,3-bis(diethoxyphosphoryl)propan-1-amine.
What is the SMILES notation for N,3-bis(diethoxyphosphoryl)propan-1-amine?
The canonical SMILES for N,3-bis(diethoxyphosphoryl)propan-1-amine is CCOP(=O)(CCCNP(=O)(OCC)OCC)OCC.
What is the InChIKey of N,3-bis(diethoxyphosphoryl)propan-1-amine?
The InChIKey is RTVSFPOAMQNEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO6P2/c1-5-15-19(13,16-6-2)11-9-10-12-20(14,17-7-3)18-8-4/h5-11H2,1-4H3,(H,12,14).
What are the key properties of N,3-bis(diethoxyphosphoryl)propan-1-amine?
N,3-bis(diethoxyphosphoryl)propan-1-amine has a molecular weight of 331.29 g/mol, XLogP of 3.41, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(diethoxyphosphoryl)propan-1-amine is sourced from PubChem (CID 12557390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).