N-diaminophosphoryl-N-ethylethanamine;dihydrochloride

C4H16Cl2N3OP — CID 172846789

IUPACN-diaminophosphoryl-N-ethylethanamine;dihydrochloride
SMILESCCN(CC)P(N)(N)=O.Cl.Cl
InChIInChI=1S/C4H14N3OP.2ClH/c1-3-7(4-2)9(5,6)8;;/h3-4H2,1-2H3,(H4,5,6,8);2*1H
InChIKeyXNMUKCOOZCIFHE-UHFFFAOYSA-N
MW224.07 g/mol
LogP1.20
Rot. Bonds3

About N-diaminophosphoryl-N-ethylethanamine;dihydrochloride

N-diaminophosphoryl-N-ethylethanamine;dihydrochloride (PubChem CID 172846789) has the molecular formula C4H16Cl2N3OP and a molecular weight of 224.07 g/mol. Its IUPAC name is N-diaminophosphoryl-N-ethylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-diaminophosphoryl-N-ethylethanamine;dihydrochloride
PubChem CID172846789
Molecular FormulaC4H16Cl2N3OP
Molecular Weight224.07 g/mol
Exact Mass223.04
IUPAC NameN-diaminophosphoryl-N-ethylethanamine;dihydrochloride
SMILESCCN(CC)P(N)(N)=O.Cl.Cl
InChIInChI=1S/C4H14N3OP.2ClH/c1-3-7(4-2)9(5,6)8;;/h3-4H2,1-2H3,(H4,5,6,8);2*1H
InChIKeyXNMUKCOOZCIFHE-UHFFFAOYSA-N
XLogP1.20
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-diaminophosphoryl-N-ethenylethanamine
CID 175550042
2-[bis(diethylamino)phosphoryl]acetaldehyde
CID 13249415
N-butan-2-yl-N-diaminophosphorylbutan-2-amine
CID 18763985
N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine
CID 15093570
N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine
CID 23268991
N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine
CID 23417509
N-ethyl-N-[[(2S)-2-methylaziridin-1-yl]-[(2R)-2-methylaziridin-1-yl]phosphoryl]ethanamine
CID 98572537
N,N-bis(dimethylphosphoryl)ethanamine
CID 89318169
N-dipropoxyphosphoryl-N-ethylpropan-1-amine
CID 24741650
N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine
CID 170850878
N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine
CID 71444753
CID 16557825
CID 16557825

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphoryl-N-ethylethanamine;dihydrochloride?
The IUPAC name of N-diaminophosphoryl-N-ethylethanamine;dihydrochloride (CID 172846789) is N-diaminophosphoryl-N-ethylethanamine;dihydrochloride.
What is the SMILES notation for N-diaminophosphoryl-N-ethylethanamine;dihydrochloride?
The canonical SMILES for N-diaminophosphoryl-N-ethylethanamine;dihydrochloride is CCN(CC)P(N)(N)=O.Cl.Cl.
What is the InChIKey of N-diaminophosphoryl-N-ethylethanamine;dihydrochloride?
The InChIKey is XNMUKCOOZCIFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N3OP.2ClH/c1-3-7(4-2)9(5,6)8;;/h3-4H2,1-2H3,(H4,5,6,8);2*1H.
What are the key properties of N-diaminophosphoryl-N-ethylethanamine;dihydrochloride?
N-diaminophosphoryl-N-ethylethanamine;dihydrochloride has a molecular weight of 224.07 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-N-ethylethanamine;dihydrochloride is sourced from PubChem (CID 172846789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).