ethanamine;ethylcarbamic acid

C5H14N2O2 — CID 12921251

IUPACethanamine;ethylcarbamic acid
SMILESCCN.CCNC(=O)O
InChIInChI=1S/C3H7NO2.C2H7N/c1-2-4-3(5)6;1-2-3/h4H,2H2,1H3,(H,5,6);2-3H2,1H3
InChIKeyGPUHGQYNYJIMDZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.24
Rot. Bonds1

About ethanamine;ethylcarbamic acid

ethanamine;ethylcarbamic acid (PubChem CID 12921251) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is ethanamine;ethylcarbamic acid.

Molecular Properties

Compound Nameethanamine;ethylcarbamic acid
PubChem CID12921251
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Nameethanamine;ethylcarbamic acid
SMILESCCN.CCNC(=O)O
InChIInChI=1S/C3H7NO2.C2H7N/c1-2-4-3(5)6;1-2-3/h4H,2H2,1H3,(H,5,6);2-3H2,1H3
InChIKeyGPUHGQYNYJIMDZ-UHFFFAOYSA-N
XLogP0.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanamine;ethylcarbamic acid?
The IUPAC name of ethanamine;ethylcarbamic acid (CID 12921251) is ethanamine;ethylcarbamic acid.
What is the SMILES notation for ethanamine;ethylcarbamic acid?
The canonical SMILES for ethanamine;ethylcarbamic acid is CCN.CCNC(=O)O.
What is the InChIKey of ethanamine;ethylcarbamic acid?
The InChIKey is GPUHGQYNYJIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C2H7N/c1-2-4-3(5)6;1-2-3/h4H,2H2,1H3,(H,5,6);2-3H2,1H3.
What are the key properties of ethanamine;ethylcarbamic acid?
ethanamine;ethylcarbamic acid has a molecular weight of 134.18 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethylcarbamic acid is sourced from PubChem (CID 12921251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).