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

C6H17N2O2P — CID 87075379

IUPACN'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine
SMILESCCOP(C)(=O)NCCNC
InChIInChI=1S/C6H17N2O2P/c1-4-10-11(3,9)8-6-5-7-2/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyPDMBDMQTPDUESO-UHFFFAOYSA-N
MW180.19 g/mol
LogP0.65
Rot. Bonds6

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

N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine (PubChem CID 87075379) has the molecular formula C6H17N2O2P and a molecular weight of 180.19 g/mol. Its IUPAC name is N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine
PubChem CID87075379
Molecular FormulaC6H17N2O2P
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC NameN'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine
SMILESCCOP(C)(=O)NCCNC
InChIInChI=1S/C6H17N2O2P/c1-4-10-11(3,9)8-6-5-7-2/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyPDMBDMQTPDUESO-UHFFFAOYSA-N
XLogP0.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 50.65
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]-2-iodoethanamine
CID 126542293
N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine
CID 88863403
N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine
CID 88586309
cyclopropyloxy-N-[2-(methylamino)ethyl]phosphonamidic acid
CID 166978030
O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride
CID 173210989
4,4-bis(diethoxyphosphoryl)-N-methylbutan-1-amine
CID 19699981
ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate
CID 59020287
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol
CID 23534642
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656

Frequently Asked Questions

What is the IUPAC name of N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine (CID 87075379) is N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine is CCOP(C)(=O)NCCNC.
What is the InChIKey of N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine?
The InChIKey is PDMBDMQTPDUESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O2P/c1-4-10-11(3,9)8-6-5-7-2/h7H,4-6H2,1-3H3,(H,8,9).
What are the key properties of N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine?
N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine has a molecular weight of 180.19 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 87075379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).