methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate

C12H24N2O2 — CID 62389297

IUPACmethyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
SMILESCCN(CC)CCNC1(C(=O)OC)CCC1
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)10-9-13-12(7-6-8-12)11(15)16-3/h13H,4-10H2,1-3H3
InChIKeyCYIODJTWDLRORF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds7

About methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate

methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate (PubChem CID 62389297) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
PubChem CID62389297
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
SMILESCCN(CC)CCNC1(C(=O)OC)CCC1
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)10-9-13-12(7-6-8-12)11(15)16-3/h13H,4-10H2,1-3H3
InChIKeyCYIODJTWDLRORF-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate (CID 62389297) is methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate is CCN(CC)CCNC1(C(=O)OC)CCC1.
What is the InChIKey of methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate?
The InChIKey is CYIODJTWDLRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14(5-2)10-9-13-12(7-6-8-12)11(15)16-3/h13H,4-10H2,1-3H3.
What are the key properties of methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate?
methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate is sourced from PubChem (CID 62389297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).