[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine

C14H19NO2 — CID 117338504

IUPAC[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
SMILESCc1cc2c(c(C3(CN)CCC3)c1C)OCO2
InChIInChI=1S/C14H19NO2/c1-9-6-11-13(17-8-16-11)12(10(9)2)14(7-15)4-3-5-14/h6H,3-5,7-8,15H2,1-2H3
InChIKeyAMFXQVBFMXOHEK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.41
Rot. Bonds2

About [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine

[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine (PubChem CID 117338504) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
PubChem CID117338504
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
SMILESCc1cc2c(c(C3(CN)CCC3)c1C)OCO2
InChIInChI=1S/C14H19NO2/c1-9-6-11-13(17-8-16-11)12(10(9)2)14(7-15)4-3-5-14/h6H,3-5,7-8,15H2,1-2H3
InChIKeyAMFXQVBFMXOHEK-UHFFFAOYSA-N
XLogP2.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117293470
[1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117499180
[1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117387232
[1-(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117397545
[1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496963
[1-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496965
[1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
CID 117376470
[1-(5-chloro-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
CID 117387219
4-[1-(aminomethyl)cyclopentyl]-1,3-benzodioxol-5-ol
CID 117342196
[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine
CID 117435342
[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117452651
[1-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 117480107

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine (CID 117338504) is [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine is Cc1cc2c(c(C3(CN)CCC3)c1C)OCO2.
What is the InChIKey of [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine?
The InChIKey is AMFXQVBFMXOHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-6-11-13(17-8-16-11)12(10(9)2)14(7-15)4-3-5-14/h6H,3-5,7-8,15H2,1-2H3.
What are the key properties of [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine?
[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117338504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).