N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine

C7H16NO3P — CID 175597421

IUPACN-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCCN(C)P1(=O)OCCCO1
InChIInChI=1S/C7H16NO3P/c1-3-5-8(2)12(9)10-6-4-7-11-12/h3-7H2,1-2H3
InChIKeySWFPJYNGAWSSEW-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.87
Rot. Bonds3

About N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine

N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 175597421) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID175597421
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC NameN-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCCN(C)P1(=O)OCCCO1
InChIInChI=1S/C7H16NO3P/c1-3-5-8(2)12(9)10-6-4-7-11-12/h3-7H2,1-2H3
InChIKeySWFPJYNGAWSSEW-UHFFFAOYSA-N
XLogP1.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-diethoxyphosphoryl-N-methylethanamine
CID 24740829
Phosphoramidic acid, diethyl-, cyclic trimethylene ester
CID 13181702
N,N-Diethyl-1,3,2-dioxaphosphinan-2-amine
CID 12595013
N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 22756487
N-dipropoxyphosphoryl-N-ethylpropan-1-amine
CID 24741650
N-dipropoxyphosphoryl-N-methylpropan-1-amine
CID 24741653
N-diethoxyphosphoryl-N-ethylpropan-1-amine
CID 85873704
N-diethoxyphosphoryl-N-methylpropan-1-amine
CID 85956990
N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
CID 86037664
N-[methoxy(propoxy)phosphoryl]-N-propylpropan-1-amine
CID 86037665
N-dipropoxyphosphoryl-N-methylethanamine
CID 86037673
N-[ethoxy(propoxy)phosphoryl]-N-propylpropan-1-amine
CID 86184824

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine (CID 175597421) is N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine is CCCN(C)P1(=O)OCCCO1.
What is the InChIKey of N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is SWFPJYNGAWSSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-3-5-8(2)12(9)10-6-4-7-11-12/h3-7H2,1-2H3.
What are the key properties of N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine?
N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 193.18 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-propyl-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 175597421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).