3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine

C11H23NO2 — CID 104674930

IUPAC3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1OCCC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-11(2,3)5-6-14-9-7-8(12)10(9)13-4/h8-10H,5-7,12H2,1-4H3
InChIKeyMWDFAHMNQWJQMK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.55
Rot. Bonds4

About 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine

3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine (PubChem CID 104674930) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine
PubChem CID104674930
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1OCCC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-11(2,3)5-6-14-9-7-8(12)10(9)13-4/h8-10H,5-7,12H2,1-4H3
InChIKeyMWDFAHMNQWJQMK-UHFFFAOYSA-N
XLogP1.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-(3,3-dimethylbutoxy)-2-methoxycyclobutane
CID 104674142
2-methoxy-3-pentoxycyclobutan-1-amine
CID 104674665
2-(3,3-dimethylbutoxy)cyclooctan-1-amine
CID 66232018
3-(cyclopropylmethoxy)-2-methoxycyclobutan-1-amine
CID 104674531
3-(cyclohexylmethoxy)-2-methoxycyclobutan-1-amine
CID 104674815
2-methoxy-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104674491
3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine
CID 66352494
2-ethoxy-3-[2-(2-methoxyethoxy)ethoxy]cyclobutan-1-amine
CID 104676703
3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66353159
2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
CID 104675029
3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine
CID 104674447
1-bromo-2-(3,3-dimethylbutoxy)cycloheptane
CID 66227351

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine (CID 104674930) is 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine is COC1C(N)CC1OCCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine?
The InChIKey is MWDFAHMNQWJQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)5-6-14-9-7-8(12)10(9)13-4/h8-10H,5-7,12H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine?
3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 104674930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).