N'-azido-N'-ethylmethanediamine

C3H9N5 — CID 118887958

IUPACN'-azido-N'-ethylmethanediamine
SMILESCCN(CN)N=[N+]=[N-]
InChIInChI=1S/C3H9N5/c1-2-8(3-4)7-6-5/h2-4H2,1H3
InChIKeyANELHHYGRQAXAH-UHFFFAOYSA-N
MW115.14 g/mol
LogP0.45
Rot. Bonds3

About N'-azido-N'-ethylmethanediamine

N'-azido-N'-ethylmethanediamine (PubChem CID 118887958) has the molecular formula C3H9N5 and a molecular weight of 115.14 g/mol. Its IUPAC name is N'-azido-N'-ethylmethanediamine.

Molecular Properties

Compound NameN'-azido-N'-ethylmethanediamine
PubChem CID118887958
Molecular FormulaC3H9N5
Molecular Weight115.14 g/mol
Exact Mass115.09
IUPAC NameN'-azido-N'-ethylmethanediamine
SMILESCCN(CN)N=[N+]=[N-]
InChIInChI=1S/C3H9N5/c1-2-8(3-4)7-6-5/h2-4H2,1H3
InChIKeyANELHHYGRQAXAH-UHFFFAOYSA-N
XLogP0.45
TPSA78.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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'}

Analyze N'-azido-N'-ethylmethanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-azido-N'-ethylmethanediamine?
The IUPAC name of N'-azido-N'-ethylmethanediamine (CID 118887958) is N'-azido-N'-ethylmethanediamine.
What is the SMILES notation for N'-azido-N'-ethylmethanediamine?
The canonical SMILES for N'-azido-N'-ethylmethanediamine is CCN(CN)N=[N+]=[N-].
What is the InChIKey of N'-azido-N'-ethylmethanediamine?
The InChIKey is ANELHHYGRQAXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N5/c1-2-8(3-4)7-6-5/h2-4H2,1H3.
What are the key properties of N'-azido-N'-ethylmethanediamine?
N'-azido-N'-ethylmethanediamine has a molecular weight of 115.14 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-azido-N'-ethylmethanediamine is sourced from PubChem (CID 118887958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).