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

C16H23NO2 — CID 65003511

IUPAC[1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine
SMILESCCC1(CC)CC(CN)(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H23NO2/c1-3-15(4-2)8-16(9-15,10-17)12-5-6-13-14(7-12)19-11-18-13/h5-7H,3-4,8-11,17H2,1-2H3
InChIKeyVVVZQZAKJZEDCE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.21
Rot. Bonds4

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

[1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine (PubChem CID 65003511) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine
PubChem CID65003511
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine
SMILESCCC1(CC)CC(CN)(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H23NO2/c1-3-15(4-2)8-16(9-15,10-17)12-5-6-13-14(7-12)19-11-18-13/h5-7H,3-4,8-11,17H2,1-2H3
InChIKeyVVVZQZAKJZEDCE-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-benzodioxol-5-yl)-3-ethylcyclobutyl]methanamine
CID 65000376
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
1-(1,3-benzodioxol-5-yl)-N-[(3-ethyloxetan-3-yl)methyl]methanamine
CID 71853567
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842630
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
2-[1-(1,3-benzodioxol-5-yl)cyclobutyl]acetonitrile
CID 54471078
[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117312500
N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-1-[4-[(S)-methylsulfinyl]phenyl]methanamine
CID 97031507
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
1,3-benzodioxole-5-thiol;methanamine
CID 142820646
2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
CID 65007449

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine?
The IUPAC name of [1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine (CID 65003511) is [1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine.
What is the SMILES notation for [1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine?
The canonical SMILES for [1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine is CCC1(CC)CC(CN)(c2ccc3c(c2)OCO3)C1.
What is the InChIKey of [1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine?
The InChIKey is VVVZQZAKJZEDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-15(4-2)8-16(9-15,10-17)12-5-6-13-14(7-12)19-11-18-13/h5-7H,3-4,8-11,17H2,1-2H3.
What are the key properties of [1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine?
[1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 3.21, 4 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)-3,3-diethylcyclobutyl]methanamine is sourced from PubChem (CID 65003511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).