3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine

C14H19NO2 — CID 81415516

IUPAC3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine
SMILESCC1C(N)CC1c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H19NO2/c1-9-11(8-12(9)15)10-3-4-13-14(7-10)17-6-2-5-16-13/h3-4,7,9,11-12H,2,5-6,8,15H2,1H3
InChIKeyVCAWQNWJEJSUKP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds1

About 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine (PubChem CID 81415516) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine
PubChem CID81415516
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine
SMILESCC1C(N)CC1c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H19NO2/c1-9-11(8-12(9)15)10-3-4-13-14(7-10)17-6-2-5-16-13/h3-4,7,9,11-12H,2,5-6,8,15H2,1H3
InChIKeyVCAWQNWJEJSUKP-UHFFFAOYSA-N
XLogP2.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine 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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-amine
CID 81416353
3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
CID 81414919
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
CID 62801780
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylpiperidine-2,6-dione
CID 79317475
9-methyl-2,3,4,7,8,9-hexahydrocyclopenta[h][1,5]benzodioxepin-7-amine
CID 63822811
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropan-1-amine
CID 43810369
trans-(1R,2S)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropan-1-amine
CID 93299644
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethylpyrrolidin-2-one
CID 66106342
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol
CID 81416194

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine (CID 81415516) is 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine is CC1C(N)CC1c1ccc2c(c1)OCCCO2.
What is the InChIKey of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine?
The InChIKey is VCAWQNWJEJSUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-11(8-12(9)15)10-3-4-13-14(7-10)17-6-2-5-16-13/h3-4,7,9,11-12H,2,5-6,8,15H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine?
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81415516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).