3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine

C12H23NO2 — CID 104872112

IUPAC3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(NCCC2CCCCO2)C1
InChIInChI=1S/C12H23NO2/c1-14-12-8-10(9-12)13-6-5-11-4-2-3-7-15-11/h10-13H,2-9H2,1H3
InChIKeyVYHNCEZWQBPWKJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds5

About 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine

3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 104872112) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine
PubChem CID104872112
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(NCCC2CCCCO2)C1
InChIInChI=1S/C12H23NO2/c1-14-12-8-10(9-12)13-6-5-11-4-2-3-7-15-11/h10-13H,2-9H2,1H3
InChIKeyVYHNCEZWQBPWKJ-UHFFFAOYSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 103992902
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
CID 104537106
3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
ethyl 4-[2-(oxan-2-yl)ethylamino]piperidine-1-carboxylate
CID 103993007
3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61040203
N-[3-(oxan-2-yl)propyl]oxan-4-amine
CID 104627077
1-methyl-5-[2-(oxolan-2-yl)ethylamino]piperidin-2-one
CID 65161206
3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 54917361
7-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75431760
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine (CID 104872112) is 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine is COC1CC(NCCC2CCCCO2)C1.
What is the InChIKey of 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is VYHNCEZWQBPWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-12-8-10(9-12)13-6-5-11-4-2-3-7-15-11/h10-13H,2-9H2,1H3.
What are the key properties of 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine?
3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104872112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).