1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine

C4H16N4OP2 — CID 163886314

IUPAC1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine
SMILES[H]N=P(C)(N)C(C)(N)P(C)(N)=O
InChIInChI=1S/C4H16N4OP2/c1-4(5,10(2,6)7)11(3,8)9/h5H2,1-3H3,(H3,6,7)(H2,8,9)
InChIKeyPXPVHIVENVHAJY-UHFFFAOYSA-N
MW198.15 g/mol
LogP0.77
Rot. Bonds2

About 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine

1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine (PubChem CID 163886314) has the molecular formula C4H16N4OP2 and a molecular weight of 198.15 g/mol. Its IUPAC name is 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine.

Molecular Properties

Compound Name1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine
PubChem CID163886314
Molecular FormulaC4H16N4OP2
Molecular Weight198.15 g/mol
Exact Mass198.08
IUPAC Name1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine
SMILES[H]N=P(C)(N)C(C)(N)P(C)(N)=O
InChIInChI=1S/C4H16N4OP2/c1-4(5,10(2,6)7)11(3,8)9/h5H2,1-3H3,(H3,6,7)(H2,8,9)
InChIKeyPXPVHIVENVHAJY-UHFFFAOYSA-N
XLogP0.77
TPSA118.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[amino(methyl)phosphoryl]methane;formonitrile
CID 174424309
amino(methyl)phosphinate
CID 18377257
CID 159688873
CID 159688873
aminophosphonic acid;methylphosphonic acid
CID 87311898
(2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid
CID 175415338
N-[amino(tert-butyl)phosphoryl]-N-methylmethanamine
CID 123774339
methanethione;2-methylpropan-2-amine
CID 167458239
[amino(methyl)phosphoryl]formamide
CID 163796895
1,1-diaminoethanesulfinate
CID 90404877
aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane
CID 90199354
aluminum tris(tert-butyl(methyl)phosphinate)
CID 173016084
(2-amino-3-oxopent-4-en-2-yl)phosphonic acid
CID 150100333

Frequently Asked Questions

What is the IUPAC name of 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine?
The IUPAC name of 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine (CID 163886314) is 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine.
What is the SMILES notation for 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine?
The canonical SMILES for 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine is [H]N=P(C)(N)C(C)(N)P(C)(N)=O.
What is the InChIKey of 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine?
The InChIKey is PXPVHIVENVHAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H16N4OP2/c1-4(5,10(2,6)7)11(3,8)9/h5H2,1-3H3,(H3,6,7)(H2,8,9).
What are the key properties of 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine?
1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine has a molecular weight of 198.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)phosphinimyl]-1-[amino(methyl)phosphoryl]ethanamine is sourced from PubChem (CID 163886314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).