N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine

C16H21NO2 — CID 81017961

IUPACN-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine
SMILESc1cc2c(cc1C1CCC1CNC1CC1)OCCO2
InChIInChI=1S/C16H21NO2/c1-5-14(12(1)10-17-13-3-4-13)11-2-6-15-16(9-11)19-8-7-18-15/h2,6,9,12-14,17H,1,3-5,7-8,10H2
InChIKeyDAORJABUBAWFKB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.70
Rot. Bonds4

About N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 81017961) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID81017961
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine
SMILESc1cc2c(cc1C1CCC1CNC1CC1)OCCO2
InChIInChI=1S/C16H21NO2/c1-5-14(12(1)10-17-13-3-4-13)11-2-6-15-16(9-11)19-8-7-18-15/h2,6,9,12-14,17H,1,3-5,7-8,10H2
InChIKeyDAORJABUBAWFKB-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81021879
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine
CID 82295861
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
CID 62801783
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-amine
CID 81416353
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)cyclopropanamine
CID 117036428
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine
CID 83108835
N-[(2-quinolin-7-ylcyclopentyl)methyl]cyclopropanamine
CID 81228417
N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81034644
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine
CID 62763290
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine
CID 79368351

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine (CID 81017961) is N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine is c1cc2c(cc1C1CCC1CNC1CC1)OCCO2.
What is the InChIKey of N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is DAORJABUBAWFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-5-14(12(1)10-17-13-3-4-13)11-2-6-15-16(9-11)19-8-7-18-15/h2,6,9,12-14,17H,1,3-5,7-8,10H2.
What are the key properties of N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 259.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81017961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).