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

C8H21N2O2P — CID 88586309

IUPACN'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine
SMILESCCOP(=O)(NCCNC)C(C)C
InChIInChI=1S/C8H21N2O2P/c1-5-12-13(11,8(2)3)10-7-6-9-4/h8-9H,5-7H2,1-4H3,(H,10,11)
InChIKeyPLAPRRMBOGXGJP-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.43
Rot. Bonds7

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

N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine (PubChem CID 88586309) has the molecular formula C8H21N2O2P and a molecular weight of 208.24 g/mol. Its IUPAC name is N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine
PubChem CID88586309
Molecular FormulaC8H21N2O2P
Molecular Weight208.24 g/mol
Exact Mass208.13
IUPAC NameN'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine
SMILESCCOP(=O)(NCCNC)C(C)C
InChIInChI=1S/C8H21N2O2P/c1-5-12-13(11,8(2)3)10-7-6-9-4/h8-9H,5-7H2,1-4H3,(H,10,11)
InChIKeyPLAPRRMBOGXGJP-UHFFFAOYSA-N
XLogP1.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.43
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

N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine
CID 87075379
N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine
CID 88863403
4,4-bis(diethoxyphosphoryl)-N-methylbutan-1-amine
CID 19699981
O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride
CID 173210989
2-[2-chloroethyl(ethoxy)phosphoryl]propane
CID 71392643
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
2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol
CID 23534642
ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083

Frequently Asked Questions

What is the IUPAC name of N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine (CID 88586309) is N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine is CCOP(=O)(NCCNC)C(C)C.
What is the InChIKey of N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine?
The InChIKey is PLAPRRMBOGXGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2O2P/c1-5-12-13(11,8(2)3)10-7-6-9-4/h8-9H,5-7H2,1-4H3,(H,10,11).
What are the key properties of N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine?
N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine has a molecular weight of 208.24 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 88586309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).