3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine

C13H20N2O2 — CID 70090398

IUPAC3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine
SMILESCNCCC/N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O2/c1-14-7-4-8-15-10-11-5-6-12(16-2)13(9-11)17-3/h5-6,9-10,14H,4,7-8H2,1-3H3/b15-10+
InChIKeyNVTYJUXXNUAYHO-XNTDXEJSSA-N
MW236.31 g/mol
LogP1.73
Rot. Bonds7

About 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine

3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine (PubChem CID 70090398) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine
PubChem CID70090398
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine
SMILESCNCCC/N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O2/c1-14-7-4-8-15-10-11-5-6-12(16-2)13(9-11)17-3/h5-6,9-10,14H,4,7-8H2,1-3H3/b15-10+
InChIKeyNVTYJUXXNUAYHO-XNTDXEJSSA-N
XLogP1.73
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine
CID 121346383
1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
CID 3094006
4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234
2-[(3,4-dimethoxyphenyl)methylideneamino]ethanesulfonic acid
CID 170554767
potassium 2-[(3,4-dimethoxyphenyl)methylideneamino]ethanesulfonate
CID 170554766
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
1-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-6-phenyl-1,3,6,2-dioxazasilocan-2-yl)propyl]methanimine
CID 11102030
4-[N-[2-[(3,4-dimethoxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 137185613
[4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite
CID 172602321
(3-butoxy-4-methoxyphenyl)methylidenehydrazine
CID 168529239

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine (CID 70090398) is 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine is CNCCC/N=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine?
The InChIKey is NVTYJUXXNUAYHO-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-7-4-8-15-10-11-5-6-12(16-2)13(9-11)17-3/h5-6,9-10,14H,4,7-8H2,1-3H3/b15-10+.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine?
3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine has a molecular weight of 236.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine is sourced from PubChem (CID 70090398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).