1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine

C17H25NO — CID 105053875

IUPAC1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCNC(c1cccc(C2CCC2)c1)C1COC(C)C1
InChIInChI=1S/C17H25NO/c1-12-9-16(11-19-12)17(18-2)15-8-4-7-14(10-15)13-5-3-6-13/h4,7-8,10,12-13,16-18H,3,5-6,9,11H2,1-2H3
InChIKeyUOXBSOAHEWRGFI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.64
Rot. Bonds4

About 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine

1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine (PubChem CID 105053875) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
PubChem CID105053875
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCNC(c1cccc(C2CCC2)c1)C1COC(C)C1
InChIInChI=1S/C17H25NO/c1-12-9-16(11-19-12)17(18-2)15-8-4-7-14(10-15)13-5-3-6-13/h4,7-8,10,12-13,16-18H,3,5-6,9,11H2,1-2H3
InChIKeyUOXBSOAHEWRGFI-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794
N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 114825004
N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine
CID 114825017
N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105053721
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 114604522
[(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105342042
N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 114825011
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114824998

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine (CID 105053875) is 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine is CNC(c1cccc(C2CCC2)c1)C1COC(C)C1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The InChIKey is UOXBSOAHEWRGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-9-16(11-19-12)17(18-2)15-8-4-7-14(10-15)13-5-3-6-13/h4,7-8,10,12-13,16-18H,3,5-6,9,11H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 105053875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).