N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine

C10H24NO2P — CID 170850878

IUPACN-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine
SMILESCCN(CC)P(=O)(OC(C)C)C(C)C
InChIInChI=1S/C10H24NO2P/c1-7-11(8-2)14(12,10(5)6)13-9(3)4/h9-10H,7-8H2,1-6H3
InChIKeyGXWQLZUYUXRXHB-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine

N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine (PubChem CID 170850878) has the molecular formula C10H24NO2P and a molecular weight of 221.28 g/mol. Its IUPAC name is N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine
PubChem CID170850878
Molecular FormulaC10H24NO2P
Molecular Weight221.28 g/mol
Exact Mass221.15
IUPAC NameN-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine
SMILESCCN(CC)P(=O)(OC(C)C)C(C)C
InChIInChI=1S/C10H24NO2P/c1-7-11(8-2)14(12,10(5)6)13-9(3)4/h9-10H,7-8H2,1-6H3
InChIKeyGXWQLZUYUXRXHB-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide
CID 4204254
1-di(propan-2-yloxy)phosphorylbut-1-ene
CID 176894704
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
bis(2-di(propan-2-yl)phosphoryloxypropane);methane
CID 160822091
1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane
CID 14248164
1-di(propan-2-yloxy)phosphorylbutan-1-one
CID 15685101
N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine
CID 23268991
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
CID 151495462
2-dimethylphosphoryloxypropane
CID 12572720
ethyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 11777924
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine
CID 170850992

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine?
The IUPAC name of N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine (CID 170850878) is N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine.
What is the SMILES notation for N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine?
The canonical SMILES for N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine is CCN(CC)P(=O)(OC(C)C)C(C)C.
What is the InChIKey of N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine?
The InChIKey is GXWQLZUYUXRXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO2P/c1-7-11(8-2)14(12,10(5)6)13-9(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine?
N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine has a molecular weight of 221.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine is sourced from PubChem (CID 170850878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).