1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine

C15H24N2O2 — CID 43327444

IUPAC1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H24N2O2/c1-3-5-8-17(4-2)13(10-16)12-6-7-14-15(9-12)19-11-18-14/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyZIYMYSKNZWWQKK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.54
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine

1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine (PubChem CID 43327444) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine
PubChem CID43327444
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H24N2O2/c1-3-5-8-17(4-2)13(10-16)12-6-7-14-15(9-12)19-11-18-14/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyZIYMYSKNZWWQKK-UHFFFAOYSA-N
XLogP2.54
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 60869742
(1S)-1-(1,3-benzodioxol-5-yl)pentan-1-amine;hydrochloride
CID 171236418
1-(1,3-benzodioxol-5-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 78973599
5-[(3S)-heptan-3-yl]-1,3-benzodioxole
CID 142262614
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
1-(1,3-benzodioxol-5-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 43265749
1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568969
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 60869172
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine
CID 93341356
N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine
CID 43804484

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine (CID 43327444) is 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine is CCCCN(CC)C(CN)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine?
The InChIKey is ZIYMYSKNZWWQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-8-17(4-2)13(10-16)12-6-7-14-15(9-12)19-11-18-14/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine?
1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine is sourced from PubChem (CID 43327444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).