N-diaminophosphoryl-N-ethenylethanamine

C4H12N3OP — CID 175550042

IUPACN-diaminophosphoryl-N-ethenylethanamine
SMILESC=CN(CC)P(N)(N)=O
InChIInChI=1S/C4H12N3OP/c1-3-7(4-2)9(5,6)8/h3H,1,4H2,2H3,(H4,5,6,8)
InChIKeyKWRLBPQQPYEYAY-UHFFFAOYSA-N
MW149.13 g/mol
LogP0.48
Rot. Bonds3

About N-diaminophosphoryl-N-ethenylethanamine

N-diaminophosphoryl-N-ethenylethanamine (PubChem CID 175550042) has the molecular formula C4H12N3OP and a molecular weight of 149.13 g/mol. Its IUPAC name is N-diaminophosphoryl-N-ethenylethanamine.

Molecular Properties

Compound NameN-diaminophosphoryl-N-ethenylethanamine
PubChem CID175550042
Molecular FormulaC4H12N3OP
Molecular Weight149.13 g/mol
Exact Mass149.07
IUPAC NameN-diaminophosphoryl-N-ethenylethanamine
SMILESC=CN(CC)P(N)(N)=O
InChIInChI=1S/C4H12N3OP/c1-3-7(4-2)9(5,6)8/h3H,1,4H2,2H3,(H4,5,6,8)
InChIKeyKWRLBPQQPYEYAY-UHFFFAOYSA-N
XLogP0.48
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 50.48
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-ethenyl-N-ethylethanamine;phosphoric acid
CID 175098151
N-diaminophosphoryl-N-ethylethanamine;dihydrochloride
CID 172846789
N,N-bis(dimethylphosphoryl)ethanamine
CID 89318169
2-[bis(diethylamino)phosphoryl]acetaldehyde
CID 13249415
N-butan-2-yl-N-diaminophosphorylbutan-2-amine
CID 18763985
ethyl N-amino-N-ethenylcarbamate
CID 174832882
N-ethylmethanimine
CID 535674
ethane;N-ethenyl-N-methylethanamine
CID 176944347
N-ethenyl-N,N'-dimethylmethanimidamide;propane
CID 143328046
N,N-dimethylethanamine;N-[(Z)-prop-1-enyl]methanimine
CID 143693608
1-ethenyl-1-ethyl-3-ethylideneurea
CID 141081531
chlorosilane;N-ethenyl-N-ethylethanamine
CID 174659520

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphoryl-N-ethenylethanamine?
The IUPAC name of N-diaminophosphoryl-N-ethenylethanamine (CID 175550042) is N-diaminophosphoryl-N-ethenylethanamine.
What is the SMILES notation for N-diaminophosphoryl-N-ethenylethanamine?
The canonical SMILES for N-diaminophosphoryl-N-ethenylethanamine is C=CN(CC)P(N)(N)=O.
What is the InChIKey of N-diaminophosphoryl-N-ethenylethanamine?
The InChIKey is KWRLBPQQPYEYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N3OP/c1-3-7(4-2)9(5,6)8/h3H,1,4H2,2H3,(H4,5,6,8).
What are the key properties of N-diaminophosphoryl-N-ethenylethanamine?
N-diaminophosphoryl-N-ethenylethanamine has a molecular weight of 149.13 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-N-ethenylethanamine is sourced from PubChem (CID 175550042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).