1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

C15H22N2O2 — CID 43568969

IUPAC1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O2/c1-10(11-3-4-11)17(2)13(8-16)12-5-6-14-15(7-12)19-9-18-14/h5-7,10-11,13H,3-4,8-9,16H2,1-2H3
InChIKeyCQLKRRAHIYKMNF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.15
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (PubChem CID 43568969) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
PubChem CID43568969
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O2/c1-10(11-3-4-11)17(2)13(8-16)12-5-6-14-15(7-12)19-9-18-14/h5-7,10-11,13H,3-4,8-9,16H2,1-2H3
InChIKeyCQLKRRAHIYKMNF-UHFFFAOYSA-N
XLogP2.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 78973599
1-(4-tert-butylphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568912
1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568892
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine
CID 43327444
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527433
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 43568902
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine
CID 93341356
(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
CID 171216786
1-(1,3-benzodioxol-5-yl)-2-[cyclopropyl(methyl)amino]ethanol
CID 54948756

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (CID 43568969) is 1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is CC(C1CC1)N(C)C(CN)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The InChIKey is CQLKRRAHIYKMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(11-3-4-11)17(2)13(8-16)12-5-6-14-15(7-12)19-9-18-14/h5-7,10-11,13H,3-4,8-9,16H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine has a molecular weight of 262.35 g/mol, XLogP of 2.15, 5 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-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43568969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).