1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine

C14H19NO2 — CID 116929385

IUPAC1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc3c(c2)OCO3)CCC1
InChIInChI=1S/C14H19NO2/c1-15-9-14(5-2-6-14)8-11-3-4-12-13(7-11)17-10-16-12/h3-4,7,15H,2,5-6,8-10H2,1H3
InChIKeyPKUUZOVQCJIQFH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.35
Rot. Bonds4

About 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine

1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine (PubChem CID 116929385) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
PubChem CID116929385
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc3c(c2)OCO3)CCC1
InChIInChI=1S/C14H19NO2/c1-15-9-14(5-2-6-14)8-11-3-4-12-13(7-11)17-10-16-12/h3-4,7,15H,2,5-6,8-10H2,1H3
InChIKeyPKUUZOVQCJIQFH-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929377
1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine
CID 82129060
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316
[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol
CID 81411910
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107165772
1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 63507472
1-(1,3-benzodioxol-5-yl)-N-[(3-ethyloxetan-3-yl)methyl]methanamine
CID 71853567
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine
CID 46889878
1,3-benzodioxol-5-yl-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943952
N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 116963674
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine (CID 116929385) is 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine is CNCC1(Cc2ccc3c(c2)OCO3)CCC1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is PKUUZOVQCJIQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-14(5-2-6-14)8-11-3-4-12-13(7-11)17-10-16-12/h3-4,7,15H,2,5-6,8-10H2,1H3.
What are the key properties of 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine?
1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116929385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).