1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine

C13H25NO2 — CID 116765744

IUPAC1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
SMILESCCOC1(C(NC)C2CCC2)CCOCC1
InChIInChI=1S/C13H25NO2/c1-3-16-13(7-9-15-10-8-13)12(14-2)11-5-4-6-11/h11-12,14H,3-10H2,1-2H3
InChIKeyJTBGQTSTVXGJBP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds5

About 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine

1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine (PubChem CID 116765744) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
PubChem CID116765744
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
SMILESCCOC1(C(NC)C2CCC2)CCOCC1
InChIInChI=1S/C13H25NO2/c1-3-16-13(7-9-15-10-8-13)12(14-2)11-5-4-6-11/h11-12,14H,3-10H2,1-2H3
InChIKeyJTBGQTSTVXGJBP-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136933
[(4-ethoxyoxan-4-yl)-(oxan-4-yl)methyl]hydrazine
CID 105276815
1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 116770863
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 116768763
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
1-(1-ethoxy-4-methylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 116767209
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
1-(1-methoxycyclopentyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 104610994
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine (CID 116765744) is 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine is CCOC1(C(NC)C2CCC2)CCOCC1.
What is the InChIKey of 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The InChIKey is JTBGQTSTVXGJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-16-13(7-9-15-10-8-13)12(14-2)11-5-4-6-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 116765744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).