N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine

C8H20NO3P — CID 170850992

IUPACN-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine
SMILESCCCN(C)P(=O)(OC)OC(C)C
InChIInChI=1S/C8H20NO3P/c1-6-7-9(4)13(10,11-5)12-8(2)3/h8H,6-7H2,1-5H3
InChIKeyTYCCFIKHXSBCBL-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.51
Rot. Bonds6

About N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine

N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine (PubChem CID 170850992) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine
PubChem CID170850992
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC NameN-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine
SMILESCCCN(C)P(=O)(OC)OC(C)C
InChIInChI=1S/C8H20NO3P/c1-6-7-9(4)13(10,11-5)12-8(2)3/h8H,6-7H2,1-5H3
InChIKeyTYCCFIKHXSBCBL-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.51
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-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 22756487
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-2-amine
CID 58400114
N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
CID 86037664
N-dimethoxyphosphoryl-N-methylpropan-2-amine
CID 14339947
N-[methoxy(propoxy)phosphoryl]-N-methylmethanamine
CID 541932
2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine
CID 134217980
1-[butoxy(chloro)phosphoryl]oxybutane;2-[chloro(propan-2-yloxy)phosphoryl]oxypropane
CID 88815349
methane;methyl dipropan-2-yl phosphate
CID 158565801
[decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile
CID 170850854
ethane;4-methoxy-N-methyl-N-propylbutan-2-amine
CID 153329732
N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine
CID 170850878
N,N-dimethyl-propan-2-yloxyphosphonamidic acid
CID 14117490

Frequently Asked Questions

What is the IUPAC name of N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine?
The IUPAC name of N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine (CID 170850992) is N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine?
The canonical SMILES for N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine is CCCN(C)P(=O)(OC)OC(C)C.
What is the InChIKey of N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine?
The InChIKey is TYCCFIKHXSBCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-6-7-9(4)13(10,11-5)12-8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine?
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine has a molecular weight of 209.23 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine is sourced from PubChem (CID 170850992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).