3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine

C11H21NO2 — CID 112554557

IUPAC3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC2CCOC2)C1
InChIInChI=1S/C11H21NO2/c1-2-14-11-5-10(6-11)12-7-9-3-4-13-8-9/h9-12H,2-8H2,1H3
InChIKeySORCLKDJEBNFIG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.18
Rot. Bonds5

About 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine

3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine (PubChem CID 112554557) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
PubChem CID112554557
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC2CCOC2)C1
InChIInChI=1S/C11H21NO2/c1-2-14-11-5-10(6-11)12-7-9-3-4-13-8-9/h9-12H,2-8H2,1H3
InChIKeySORCLKDJEBNFIG-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine
CID 79461363
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
2-ethyl-N-(oxolan-3-ylmethyl)cyclopropan-1-amine
CID 103897099
ethane;3-ethoxyoxolane
CID 142523367
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrrolidin-3-amine
CID 81328588
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091062
3-ethyloxolane
CID 10996972
2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine
CID 64731405
N-ethyl-3-(oxan-4-ylmethoxy)cyclopentan-1-amine
CID 79633067
1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54866671

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine (CID 112554557) is 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine is CCOC1CC(NCC2CCOC2)C1.
What is the InChIKey of 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is SORCLKDJEBNFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-11-5-10(6-11)12-7-9-3-4-13-8-9/h9-12H,2-8H2,1H3.
What are the key properties of 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine?
3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 112554557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).