N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline

C23H31N — CID 142207028

IUPACN-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline
SMILESC=C(c1ccc(CCCCCCC)cc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C23H31N/c1-5-6-7-8-9-10-21-13-15-22(16-14-21)20(3)24(4)23-17-11-19(2)12-18-23/h11-18H,3,5-10H2,1-2,4H3
InChIKeyNDBLALXPGVIZDK-UHFFFAOYSA-N
MW321.51 g/mol
LogP6.62
Rot. Bonds9

About N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline

N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline (PubChem CID 142207028) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline
PubChem CID142207028
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC NameN-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline
SMILESC=C(c1ccc(CCCCCCC)cc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C23H31N/c1-5-6-7-8-9-10-21-13-15-22(16-14-21)20(3)24(4)23-17-11-19(2)12-18-23/h11-18H,3,5-10H2,1-2,4H3
InChIKeyNDBLALXPGVIZDK-UHFFFAOYSA-N
XLogP6.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
1-methyl-4-octylbenzene
CID 11052746
4-heptyl-N,N-dimethylaniline
CID 20777180
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
1-hexyl-4-methylbenzene;toluene
CID 173071388
6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
CID 20580260
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 163613245
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
4-methyl-N-(4-octylphenyl)aniline
CID 20625735

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline?
The IUPAC name of N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline (CID 142207028) is N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline?
The canonical SMILES for N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline is C=C(c1ccc(CCCCCCC)cc1)N(C)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline?
The InChIKey is NDBLALXPGVIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-5-6-7-8-9-10-21-13-15-22(16-14-21)20(3)24(4)23-17-11-19(2)12-18-23/h11-18H,3,5-10H2,1-2,4H3.
What are the key properties of N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline?
N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline has a molecular weight of 321.51 g/mol, XLogP of 6.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-heptylphenyl)ethenyl]-N,4-dimethylaniline is sourced from PubChem (CID 142207028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).