methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate

C12H23NO2 — CID 134918662

IUPACmethyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate
SMILESCCN(CC)C1C(C)C(C)C1C(=O)OC
InChIInChI=1S/C12H23NO2/c1-6-13(7-2)11-9(4)8(3)10(11)12(14)15-5/h8-11H,6-7H2,1-5H3
InChIKeyKXANIDBJZIPLTH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.77
Rot. Bonds4

About methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate

methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate (PubChem CID 134918662) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate
PubChem CID134918662
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate
SMILESCCN(CC)C1C(C)C(C)C1C(=O)OC
InChIInChI=1S/C12H23NO2/c1-6-13(7-2)11-9(4)8(3)10(11)12(14)15-5/h8-11H,6-7H2,1-5H3
InChIKeyKXANIDBJZIPLTH-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate?
The IUPAC name of methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate (CID 134918662) is methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate is CCN(CC)C1C(C)C(C)C1C(=O)OC.
What is the InChIKey of methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate?
The InChIKey is KXANIDBJZIPLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-13(7-2)11-9(4)8(3)10(11)12(14)15-5/h8-11H,6-7H2,1-5H3.
What are the key properties of methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate?
methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate is sourced from PubChem (CID 134918662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).