1-N'-diazenyl-1-N'-methylethane-1,1-diamine

C3H10N4 — CID 89227229

IUPAC1-N'-diazenyl-1-N'-methylethane-1,1-diamine
SMILES[H]/N=N/N(C)C(C)N
InChIInChI=1S/C3H10N4/c1-3(4)7(2)6-5/h3,5H,4H2,1-2H3/b6-5+
InChIKeyZNNNJARCPYMZRG-AATRIKPKSA-N
MW102.14 g/mol
LogP0.17
Rot. Bonds2

About 1-N'-diazenyl-1-N'-methylethane-1,1-diamine

1-N'-diazenyl-1-N'-methylethane-1,1-diamine (PubChem CID 89227229) has the molecular formula C3H10N4 and a molecular weight of 102.14 g/mol. Its IUPAC name is 1-N'-diazenyl-1-N'-methylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-diazenyl-1-N'-methylethane-1,1-diamine
PubChem CID89227229
Molecular FormulaC3H10N4
Molecular Weight102.14 g/mol
Exact Mass102.09
IUPAC Name1-N'-diazenyl-1-N'-methylethane-1,1-diamine
SMILES[H]/N=N/N(C)C(C)N
InChIInChI=1S/C3H10N4/c1-3(4)7(2)6-5/h3,5H,4H2,1-2H3/b6-5+
InChIKeyZNNNJARCPYMZRG-AATRIKPKSA-N
XLogP0.17
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 1-N'-diazenyl-1-N'-methylethane-1,1-diamine?
The IUPAC name of 1-N'-diazenyl-1-N'-methylethane-1,1-diamine (CID 89227229) is 1-N'-diazenyl-1-N'-methylethane-1,1-diamine.
What is the SMILES notation for 1-N'-diazenyl-1-N'-methylethane-1,1-diamine?
The canonical SMILES for 1-N'-diazenyl-1-N'-methylethane-1,1-diamine is [H]/N=N/N(C)C(C)N.
What is the InChIKey of 1-N'-diazenyl-1-N'-methylethane-1,1-diamine?
The InChIKey is ZNNNJARCPYMZRG-AATRIKPKSA-N. The full InChI is InChI=1S/C3H10N4/c1-3(4)7(2)6-5/h3,5H,4H2,1-2H3/b6-5+.
What are the key properties of 1-N'-diazenyl-1-N'-methylethane-1,1-diamine?
1-N'-diazenyl-1-N'-methylethane-1,1-diamine has a molecular weight of 102.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-diazenyl-1-N'-methylethane-1,1-diamine is sourced from PubChem (CID 89227229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).