4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline

C22H31N3 — CID 56837713

IUPAC4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline
SMILESCC(C)NC(/C=C/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H31N3/c1-17(2)23-22(19-10-14-21(15-11-19)25(5)6)16-9-18-7-12-20(13-8-18)24(3)4/h7-17,22-23H,1-6H3/b16-9+
InChIKeyYPHLDQHLXSBUEM-CXUHLZMHSA-N
MW337.51 g/mol
LogP4.57
Rot. Bonds7

About 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline

4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline (PubChem CID 56837713) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline
PubChem CID56837713
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline
SMILESCC(C)NC(/C=C/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H31N3/c1-17(2)23-22(19-10-14-21(15-11-19)25(5)6)16-9-18-7-12-20(13-8-18)24(3)4/h7-17,22-23H,1-6H3/b16-9+
InChIKeyYPHLDQHLXSBUEM-CXUHLZMHSA-N
XLogP4.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
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
4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline
CID 101464618
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
methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate
CID 56837508
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline
CID 91934001
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline (CID 56837713) is 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline is CC(C)NC(/C=C/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline?
The InChIKey is YPHLDQHLXSBUEM-CXUHLZMHSA-N. The full InChI is InChI=1S/C22H31N3/c1-17(2)23-22(19-10-14-21(15-11-19)25(5)6)16-9-18-7-12-20(13-8-18)24(3)4/h7-17,22-23H,1-6H3/b16-9+.
What are the key properties of 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline?
4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline has a molecular weight of 337.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 56837713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).