3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene

C20H30N2O2 — CID 143973321

IUPAC3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene
SMILESC/C=C/OC.C=Cc1cn(CCCN(C)C)c2cc(OC)ccc12
InChIInChI=1S/C16H22N2O.C4H8O/c1-5-13-12-18(10-6-9-17(2)3)16-11-14(19-4)7-8-15(13)16;1-3-4-5-2/h5,7-8,11-12H,1,6,9-10H2,2-4H3;3-4H,1-2H3/b;4-3+
InChIKeyHCELFCYDIRFKKB-SCBDLNNBSA-N
MW330.47 g/mol
LogP4.41
Rot. Bonds7

About 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene

3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene (PubChem CID 143973321) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene.

Molecular Properties

Compound Name3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene
PubChem CID143973321
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene
SMILESC/C=C/OC.C=Cc1cn(CCCN(C)C)c2cc(OC)ccc12
InChIInChI=1S/C16H22N2O.C4H8O/c1-5-13-12-18(10-6-9-17(2)3)16-11-14(19-4)7-8-15(13)16;1-3-4-5-2/h5,7-8,11-12H,1,6,9-10H2,2-4H3;3-4H,1-2H3/b;4-3+
InChIKeyHCELFCYDIRFKKB-SCBDLNNBSA-N
XLogP4.41
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,7-dimethoxycarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 58544929
2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3H-1-benzofuran-6-amine
CID 67028176
N-[2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]acetamide
CID 67028057
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
CID 25028895
[(2Z)-2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-6-hydroxy-3-oxo-1-benzofuran-4-yl] N,N-dimethylcarbamate
CID 46185489
[2-[[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]methylidene]-4-hydroxy-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate
CID 68553475
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
CID 141464853
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
CID 83948673
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
1-butyl-6-methoxyindole-3-carbonitrile
CID 59425246
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
CID 58004720
2-(1-butyl-6-methoxyindol-3-yl)ethanamine
CID 83948665

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene?
The IUPAC name of 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene (CID 143973321) is 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene.
What is the SMILES notation for 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene?
The canonical SMILES for 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene is C/C=C/OC.C=Cc1cn(CCCN(C)C)c2cc(OC)ccc12.
What is the InChIKey of 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene?
The InChIKey is HCELFCYDIRFKKB-SCBDLNNBSA-N. The full InChI is InChI=1S/C16H22N2O.C4H8O/c1-5-13-12-18(10-6-9-17(2)3)16-11-14(19-4)7-8-15(13)16;1-3-4-5-2/h5,7-8,11-12H,1,6,9-10H2,2-4H3;3-4H,1-2H3/b;4-3+.
What are the key properties of 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene?
3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene has a molecular weight of 330.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenyl-6-methoxyindol-1-yl)-N,N-dimethylpropan-1-amine;(E)-1-methoxyprop-1-ene is sourced from PubChem (CID 143973321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).