3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine

C12H25NO2 — CID 104674725

IUPAC3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C)CC)C1OC
InChIInChI=1S/C12H25NO2/c1-5-7-13-10-8-11(12(10)14-4)15-9(3)6-2/h9-13H,5-8H2,1-4H3
InChIKeyPWRZZJMFHKRIQK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds7

About 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine

3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine (PubChem CID 104674725) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
PubChem CID104674725
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C)CC)C1OC
InChIInChI=1S/C12H25NO2/c1-5-7-13-10-8-11(12(10)14-4)15-9(3)6-2/h9-13H,5-8H2,1-4H3
InChIKeyPWRZZJMFHKRIQK-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine
CID 114019041
3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674990
3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674893
3-cyclohexyloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674423
3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 114342843
2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
CID 104674496
2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 104674594
3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104759373
3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine
CID 113365056
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104674532
3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674643
3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine
CID 114110576

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine (CID 104674725) is 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OC(C)CC)C1OC.
What is the InChIKey of 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine?
The InChIKey is PWRZZJMFHKRIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-13-10-8-11(12(10)14-4)15-9(3)6-2/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine?
3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104674725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).