[ethyl(methylamino)amino]methanamine

C4H13N3 — CID 118120231

IUPAC[ethyl(methylamino)amino]methanamine
SMILESCCN(CN)NC
InChIInChI=1S/C4H13N3/c1-3-7(4-5)6-2/h6H,3-5H2,1-2H3
InChIKeyQHVXWYXITKCVCW-UHFFFAOYSA-N
MW103.17 g/mol
LogP-0.64
Rot. Bonds3

About [ethyl(methylamino)amino]methanamine

[ethyl(methylamino)amino]methanamine (PubChem CID 118120231) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is [ethyl(methylamino)amino]methanamine.

Molecular Properties

Compound Name[ethyl(methylamino)amino]methanamine
PubChem CID118120231
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Name[ethyl(methylamino)amino]methanamine
SMILESCCN(CN)NC
InChIInChI=1S/C4H13N3/c1-3-7(4-5)6-2/h6H,3-5H2,1-2H3
InChIKeyQHVXWYXITKCVCW-UHFFFAOYSA-N
XLogP-0.64
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [ethyl(methylamino)amino]methanamine?
The IUPAC name of [ethyl(methylamino)amino]methanamine (CID 118120231) is [ethyl(methylamino)amino]methanamine.
What is the SMILES notation for [ethyl(methylamino)amino]methanamine?
The canonical SMILES for [ethyl(methylamino)amino]methanamine is CCN(CN)NC.
What is the InChIKey of [ethyl(methylamino)amino]methanamine?
The InChIKey is QHVXWYXITKCVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c1-3-7(4-5)6-2/h6H,3-5H2,1-2H3.
What are the key properties of [ethyl(methylamino)amino]methanamine?
[ethyl(methylamino)amino]methanamine has a molecular weight of 103.17 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methylamino)amino]methanamine is sourced from PubChem (CID 118120231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).