amino N-amino-N-propylcarbamate

C4H11N3O2 — CID 57295452

IUPACamino N-amino-N-propylcarbamate
SMILESCCCN(N)C(=O)ON
InChIInChI=1S/C4H11N3O2/c1-2-3-7(5)4(8)9-6/h2-3,5-6H2,1H3
InChIKeyGQXGEYJKGHNAFL-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.42
Rot. Bonds2

About amino N-amino-N-propylcarbamate

amino N-amino-N-propylcarbamate (PubChem CID 57295452) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is amino N-amino-N-propylcarbamate.

Molecular Properties

Compound Nameamino N-amino-N-propylcarbamate
PubChem CID57295452
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC Nameamino N-amino-N-propylcarbamate
SMILESCCCN(N)C(=O)ON
InChIInChI=1S/C4H11N3O2/c1-2-3-7(5)4(8)9-6/h2-3,5-6H2,1H3
InChIKeyGQXGEYJKGHNAFL-UHFFFAOYSA-N
XLogP-0.42
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino N-amino-N-propylcarbamate?
The IUPAC name of amino N-amino-N-propylcarbamate (CID 57295452) is amino N-amino-N-propylcarbamate.
What is the SMILES notation for amino N-amino-N-propylcarbamate?
The canonical SMILES for amino N-amino-N-propylcarbamate is CCCN(N)C(=O)ON.
What is the InChIKey of amino N-amino-N-propylcarbamate?
The InChIKey is GQXGEYJKGHNAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2/c1-2-3-7(5)4(8)9-6/h2-3,5-6H2,1H3.
What are the key properties of amino N-amino-N-propylcarbamate?
amino N-amino-N-propylcarbamate has a molecular weight of 133.15 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-amino-N-propylcarbamate is sourced from PubChem (CID 57295452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).