3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine

C12H23NO2 — CID 123395458

IUPAC3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine
SMILESC=C(CN(C)CCC)C(OC)=C(C)OC
InChIInChI=1S/C12H23NO2/c1-7-8-13(4)9-10(2)12(15-6)11(3)14-5/h2,7-9H2,1,3-6H3
InChIKeyAAXYPUAAYBOSLL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds7

About 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine

3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine (PubChem CID 123395458) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine
PubChem CID123395458
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine
SMILESC=C(CN(C)CCC)C(OC)=C(C)OC
InChIInChI=1S/C12H23NO2/c1-7-8-13(4)9-10(2)12(15-6)11(3)14-5/h2,7-9H2,1,3-6H3
InChIKeyAAXYPUAAYBOSLL-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2E)-N-butyl-2-(1-fluoroethylidene)-3-methoxy-N-methylpent-3-en-1-amine
CID 144302130
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
(3E,5Z)-N-[(E)-but-2-enyl]-5,6-dimethoxy-N-methylhepta-3,5-dien-1-amine
CID 122649699
3,4-dimethoxy-N-methyl-2-methylidene-N-propylhex-3-en-1-amine
CID 124029618
(6E)-6-ethylidene-5-methylidene-3-propyl-1,3-oxazinane
CID 132091953
(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
CID 139539796
1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine
CID 153346799
chloropalladium(1+);1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine
CID 155678161
N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium
CID 170636177
N-methyl-N-[[(2E,5E,7Z)-3-methyl-9-methylidene-4H-oxonin-6-yl]methyl]ethanamine
CID 173698221
1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium
CID 175116359
(Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 101202697

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine?
The IUPAC name of 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine (CID 123395458) is 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine?
The canonical SMILES for 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine is C=C(CN(C)CCC)C(OC)=C(C)OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine?
The InChIKey is AAXYPUAAYBOSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-8-13(4)9-10(2)12(15-6)11(3)14-5/h2,7-9H2,1,3-6H3.
What are the key properties of 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine?
3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine is sourced from PubChem (CID 123395458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).