[1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine

C10H21N3O4 — CID 163636629

IUPAC[1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine
SMILESC=C(C)C(N)(O/C=C/C)OOC(N)(N)OCC
InChIInChI=1S/C10H21N3O4/c1-5-7-15-9(11,8(3)4)16-17-10(12,13)14-6-2/h5,7H,3,6,11-13H2,1-2,4H3/b7-5+
InChIKeyIAQUTNZDLHJAHI-FNORWQNLSA-N
MW247.29 g/mol
LogP0.24
Rot. Bonds8

About [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine

[1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine (PubChem CID 163636629) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine.

Molecular Properties

Compound Name[1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine
PubChem CID163636629
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name[1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine
SMILESC=C(C)C(N)(O/C=C/C)OOC(N)(N)OCC
InChIInChI=1S/C10H21N3O4/c1-5-7-15-9(11,8(3)4)16-17-10(12,13)14-6-2/h5,7H,3,6,11-13H2,1-2,4H3/b7-5+
InChIKeyIAQUTNZDLHJAHI-FNORWQNLSA-N
XLogP0.24
TPSA114.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine?
The IUPAC name of [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine (CID 163636629) is [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine.
What is the SMILES notation for [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine?
The canonical SMILES for [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine is C=C(C)C(N)(O/C=C/C)OOC(N)(N)OCC.
What is the InChIKey of [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine?
The InChIKey is IAQUTNZDLHJAHI-FNORWQNLSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-5-7-15-9(11,8(3)4)16-17-10(12,13)14-6-2/h5,7H,3,6,11-13H2,1-2,4H3/b7-5+.
What are the key properties of [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine?
[1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine has a molecular weight of 247.29 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-methyl-1-[(E)-prop-1-enoxy]prop-2-enyl]peroxy-ethoxymethanediamine is sourced from PubChem (CID 163636629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).