N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine

C15H21NO3 — CID 55077501

IUPACN-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO3/c1-2-13(8-16-12-4-5-12)17-9-11-3-6-14-15(7-11)19-10-18-14/h3,6-7,12-13,16H,2,4-5,8-10H2,1H3
InChIKeyQGABJKYHRAIOQC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine

N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine (PubChem CID 55077501) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine
PubChem CID55077501
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO3/c1-2-13(8-16-12-4-5-12)17-9-11-3-6-14-15(7-11)19-10-18-14/h3,6-7,12-13,16H,2,4-5,8-10H2,1H3
InChIKeyQGABJKYHRAIOQC-UHFFFAOYSA-N
XLogP2.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylmethoxy)-N-methylbutan-1-amine
CID 55077500
2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine
CID 83044626
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720
N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine
CID 62445715
5-(difluoromethoxymethyl)-1,3-benzodioxole
CID 162716617
2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227814
4-(1,3-benzodioxol-5-ylmethoxy)-N-methylpentan-1-amine
CID 62445731
4-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
CID 62445732
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
2-[2-(1,3-benzodioxol-5-yl)ethoxy]butan-1-ol
CID 14796695
4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 62445906
3-(1,3-benzodioxol-5-ylmethoxy)-N-ethylpropan-1-amine
CID 62445902

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine (CID 55077501) is N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine is CCC(CNC1CC1)OCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine?
The InChIKey is QGABJKYHRAIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-13(8-16-12-4-5-12)17-9-11-3-6-14-15(7-11)19-10-18-14/h3,6-7,12-13,16H,2,4-5,8-10H2,1H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine?
N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine has a molecular weight of 263.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine is sourced from PubChem (CID 55077501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).