N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine

C7H19N2O2P — CID 88863403

IUPACN'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine
SMILESCCOP(=O)(CC)NCCNC
InChIInChI=1S/C7H19N2O2P/c1-4-11-12(10,5-2)9-7-6-8-3/h8H,4-7H2,1-3H3,(H,9,10)
InChIKeyDGBAZGOMJXEXNU-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.04
Rot. Bonds7

About N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine

N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine (PubChem CID 88863403) has the molecular formula C7H19N2O2P and a molecular weight of 194.21 g/mol. Its IUPAC name is N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine
PubChem CID88863403
Molecular FormulaC7H19N2O2P
Molecular Weight194.21 g/mol
Exact Mass194.12
IUPAC NameN'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine
SMILESCCOP(=O)(CC)NCCNC
InChIInChI=1S/C7H19N2O2P/c1-4-11-12(10,5-2)9-7-6-8-3/h8H,4-7H2,1-3H3,(H,9,10)
InChIKeyDGBAZGOMJXEXNU-UHFFFAOYSA-N
XLogP1.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol
CID 23534642
N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine
CID 87075379
N-[ethoxy(ethyl)phosphoryl]methanamine
CID 165354105
N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine
CID 88586309
2-[ethoxy(ethylamino)phosphoryl]acetonitrile
CID 163668716
ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride
CID 173210989
4,4-bis(diethoxyphosphoryl)-N-methylbutan-1-amine
CID 19699981
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid
CID 166978030
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
diaminophosphoryloxyethane
CID 12620494

Frequently Asked Questions

What is the IUPAC name of N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine (CID 88863403) is N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine is CCOP(=O)(CC)NCCNC.
What is the InChIKey of N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine?
The InChIKey is DGBAZGOMJXEXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2O2P/c1-4-11-12(10,5-2)9-7-6-8-3/h8H,4-7H2,1-3H3,(H,9,10).
What are the key properties of N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine?
N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine has a molecular weight of 194.21 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 88863403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).