N-deuterioethanamine

C2H7N — CID 58100357

IUPACN-deuterioethanamine
SMILES[2H]NCC
InChIInChI=1S/C2H7N/c1-2-3/h2-3H2,1H3/i/hD
InChIKeyQUSNBJAOOMFDIB-DYCDLGHISA-N
MW46.09 g/mol
LogP-0.04
Rot. Bonds1

About N-deuterioethanamine

N-deuterioethanamine (PubChem CID 58100357) has the molecular formula C2H7N and a molecular weight of 46.09 g/mol. Its IUPAC name is N-deuterioethanamine.

Molecular Properties

Compound NameN-deuterioethanamine
PubChem CID58100357
Molecular FormulaC2H7N
Molecular Weight46.09 g/mol
Exact Mass46.06
IUPAC NameN-deuterioethanamine
SMILES[2H]NCC
InChIInChI=1S/C2H7N/c1-2-3/h2-3H2,1H3/i/hD
InChIKeyQUSNBJAOOMFDIB-DYCDLGHISA-N
XLogP-0.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50046.09
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-deuterioethanamine with MolForge

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

Launch Full Analysis

Related Compounds

Ethylamine
CID 6341
Propylamine
CID 7852
Ethylamine hydrochloride
CID 11198
Ethanamine, hydrobromide (1:1)
CID 68974
Ethanaminium
CID 3427831
Ethylamine hydriodide
CID 11116533
Ethylamine-N,N-d2
CID 12203872
Ethylazanium chloride
CID 521681
Ethylazanium bromide
CID 13798048
Ethylamine-15N
CID 12203871
(~2~H_5_)Ethanamine--hydrogen chloride (1/1)
CID 16213297
Ethan(~15~N)amine--hydrogen chloride (1/1)
CID 16213571

Frequently Asked Questions

What is the IUPAC name of N-deuterioethanamine?
The IUPAC name of N-deuterioethanamine (CID 58100357) is N-deuterioethanamine.
What is the SMILES notation for N-deuterioethanamine?
The canonical SMILES for N-deuterioethanamine is [2H]NCC.
What is the InChIKey of N-deuterioethanamine?
The InChIKey is QUSNBJAOOMFDIB-DYCDLGHISA-N. The full InChI is InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3/i/hD.
What are the key properties of N-deuterioethanamine?
N-deuterioethanamine has a molecular weight of 46.09 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterioethanamine is sourced from PubChem (CID 58100357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).