4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline

C13H19NO2 — CID 101464618

IUPAC4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline
SMILESCOC(/C=C/c1ccc(N(C)C)cc1)OC
InChIInChI=1S/C13H19NO2/c1-14(2)12-8-5-11(6-9-12)7-10-13(15-3)16-4/h5-10,13H,1-4H3/b10-7+
InChIKeyLNTWYDOZHPJKFK-JXMROGBWSA-N
MW221.30 g/mol
LogP2.38
Rot. Bonds5

About 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline

4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline (PubChem CID 101464618) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline
PubChem CID101464618
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline
SMILESCOC(/C=C/c1ccc(N(C)C)cc1)OC
InChIInChI=1S/C13H19NO2/c1-14(2)12-8-5-11(6-9-12)7-10-13(15-3)16-4/h5-10,13H,1-4H3/b10-7+
InChIKeyLNTWYDOZHPJKFK-JXMROGBWSA-N
XLogP2.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline 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

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
CID 10794043
2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile
CID 151230311
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(1E,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 10821548
4-[(1Z,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 101097546
4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline
CID 56837713
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline (CID 101464618) is 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline is COC(/C=C/c1ccc(N(C)C)cc1)OC.
What is the InChIKey of 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline?
The InChIKey is LNTWYDOZHPJKFK-JXMROGBWSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14(2)12-8-5-11(6-9-12)7-10-13(15-3)16-4/h5-10,13H,1-4H3/b10-7+.
What are the key properties of 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline?
4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline has a molecular weight of 221.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 101464618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).