N-[[ethyl(methylamino)amino]methyl]ethanamine

C6H17N3 — CID 118974803

IUPACN-[[ethyl(methylamino)amino]methyl]ethanamine
SMILESCCNCN(CC)NC
InChIInChI=1S/C6H17N3/c1-4-8-6-9(5-2)7-3/h7-8H,4-6H2,1-3H3
InChIKeyKNEUGHHSZSHJLV-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.01
Rot. Bonds5

About N-[[ethyl(methylamino)amino]methyl]ethanamine

N-[[ethyl(methylamino)amino]methyl]ethanamine (PubChem CID 118974803) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is N-[[ethyl(methylamino)amino]methyl]ethanamine.

Molecular Properties

Compound NameN-[[ethyl(methylamino)amino]methyl]ethanamine
PubChem CID118974803
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC NameN-[[ethyl(methylamino)amino]methyl]ethanamine
SMILESCCNCN(CC)NC
InChIInChI=1S/C6H17N3/c1-4-8-6-9(5-2)7-3/h7-8H,4-6H2,1-3H3
InChIKeyKNEUGHHSZSHJLV-UHFFFAOYSA-N
XLogP0.01
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.01
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 N-[[ethyl(methylamino)amino]methyl]ethanamine?
The IUPAC name of N-[[ethyl(methylamino)amino]methyl]ethanamine (CID 118974803) is N-[[ethyl(methylamino)amino]methyl]ethanamine.
What is the SMILES notation for N-[[ethyl(methylamino)amino]methyl]ethanamine?
The canonical SMILES for N-[[ethyl(methylamino)amino]methyl]ethanamine is CCNCN(CC)NC.
What is the InChIKey of N-[[ethyl(methylamino)amino]methyl]ethanamine?
The InChIKey is KNEUGHHSZSHJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-4-8-6-9(5-2)7-3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-[[ethyl(methylamino)amino]methyl]ethanamine?
N-[[ethyl(methylamino)amino]methyl]ethanamine has a molecular weight of 131.22 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl(methylamino)amino]methyl]ethanamine is sourced from PubChem (CID 118974803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).