(3-aminocyclobutyl) N-ethyl-N-methylcarbamate

C8H16N2O2 — CID 79345244

IUPAC(3-aminocyclobutyl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1CC(N)C1
InChIInChI=1S/C8H16N2O2/c1-3-10(2)8(11)12-7-4-6(9)5-7/h6-7H,3-5,9H2,1-2H3
InChIKeyTYNAFSMKQORDEG-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.56
Rot. Bonds2

About (3-aminocyclobutyl) N-ethyl-N-methylcarbamate

(3-aminocyclobutyl) N-ethyl-N-methylcarbamate (PubChem CID 79345244) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3-aminocyclobutyl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(3-aminocyclobutyl) N-ethyl-N-methylcarbamate
PubChem CID79345244
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3-aminocyclobutyl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1CC(N)C1
InChIInChI=1S/C8H16N2O2/c1-3-10(2)8(11)12-7-4-6(9)5-7/h6-7H,3-5,9H2,1-2H3
InChIKeyTYNAFSMKQORDEG-UHFFFAOYSA-N
XLogP0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl) N-ethyl-N-methylcarbamate?
The IUPAC name of (3-aminocyclobutyl) N-ethyl-N-methylcarbamate (CID 79345244) is (3-aminocyclobutyl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (3-aminocyclobutyl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (3-aminocyclobutyl) N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC1CC(N)C1.
What is the InChIKey of (3-aminocyclobutyl) N-ethyl-N-methylcarbamate?
The InChIKey is TYNAFSMKQORDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-10(2)8(11)12-7-4-6(9)5-7/h6-7H,3-5,9H2,1-2H3.
What are the key properties of (3-aminocyclobutyl) N-ethyl-N-methylcarbamate?
(3-aminocyclobutyl) N-ethyl-N-methylcarbamate has a molecular weight of 172.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 79345244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).