N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine

C14H17NO2 — CID 15932105

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C14H17NO2/c1-3-7-15(8-4-2)10-12-5-6-13-14(9-12)17-11-16-13/h3-6,9H,1-2,7-8,10-11H2
InChIKeyFOIMXHHGEXUWTI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.59
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine

N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 15932105) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID15932105
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C14H17NO2/c1-3-7-15(8-4-2)10-12-5-6-13-14(9-12)17-11-16-13/h3-6,9H,1-2,7-8,10-11H2
InChIKeyFOIMXHHGEXUWTI-UHFFFAOYSA-N
XLogP2.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethanol;5-prop-2-enyl-1,3-benzodioxole
CID 175326771
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
5-hept-6-enyl-1,3-benzodioxole
CID 18786525
1-(1,3-benzodioxol-5-yl)-2-[bis(prop-2-enyl)amino]ethanol
CID 82216448
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]amino]hex-5-en-2-ol
CID 93164394
1-(1,3-benzodioxol-5-ylmethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 7887030
1-(1,3-benzodioxol-5-yl)hex-5-en-3-ol
CID 122677545
1-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]hex-5-en-2-ol
CID 24713530
N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
CID 86077029
1-[1,3-benzodioxol-5-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]hex-5-en-2-ol
CID 42837041
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]propan-2-ol
CID 93164723

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (CID 15932105) is N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is FOIMXHHGEXUWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-7-15(8-4-2)10-12-5-6-13-14(9-12)17-11-16-13/h3-6,9H,1-2,7-8,10-11H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 231.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 15932105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).