[1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine

C14H19NO2 — CID 65000376

IUPAC[1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine
SMILESCCC1CC(CN)(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C14H19NO2/c1-2-10-6-14(7-10,8-15)11-3-4-12-13(5-11)17-9-16-12/h3-5,10H,2,6-9,15H2,1H3
InChIKeyWVUPJTUVYZNOMN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds3

About [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine

[1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine (PubChem CID 65000376) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine
PubChem CID65000376
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine
SMILESCCC1CC(CN)(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C14H19NO2/c1-2-10-6-14(7-10,8-15)11-3-4-12-13(5-11)17-9-16-12/h3-5,10H,2,6-9,15H2,1H3
InChIKeyWVUPJTUVYZNOMN-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine
CID 65003511
3-(aminomethyl)-3-(1,3-benzodioxol-5-yl)cyclobutan-1-one
CID 64905844
[4-(1,3-benzodioxol-5-yl)-1-propylpiperidin-4-yl]methanamine
CID 95479252
[3-ethyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 65000759
2-[1-(1,3-benzodioxol-5-yl)cyclobutyl]acetonitrile
CID 54471078
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117312500
2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584359
[1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine
CID 65013748
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842630
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
(3R,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyloxolan-2-one
CID 101087163

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine?
The IUPAC name of [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine (CID 65000376) is [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine.
What is the SMILES notation for [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine?
The canonical SMILES for [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine is CCC1CC(CN)(c2ccc3c(c2)OCO3)C1.
What is the InChIKey of [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine?
The InChIKey is WVUPJTUVYZNOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-10-6-14(7-10,8-15)11-3-4-12-13(5-11)17-9-16-12/h3-5,10H,2,6-9,15H2,1H3.
What are the key properties of [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine?
[1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine is sourced from PubChem (CID 65000376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).