4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene

C23H31N — CID 177337269

IUPAC4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene
SMILESC=C(CC)C(Cc1ccc(C)cc1)Nc1ccc(C)cc1.C=CC
InChIInChI=1S/C20H25N.C3H6/c1-5-17(4)20(14-18-10-6-15(2)7-11-18)21-19-12-8-16(3)9-13-19;1-3-2/h6-13,20-21H,4-5,14H2,1-3H3;3H,1H2,2H3
InChIKeyXEHWBHDALRJQTJ-UHFFFAOYSA-N
MW321.51 g/mol
LogP6.49
Rot. Bonds6

About 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene

4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene (PubChem CID 177337269) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene.

Molecular Properties

Compound Name4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene
PubChem CID177337269
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene
SMILESC=C(CC)C(Cc1ccc(C)cc1)Nc1ccc(C)cc1.C=CC
InChIInChI=1S/C20H25N.C3H6/c1-5-17(4)20(14-18-10-6-15(2)7-11-18)21-19-12-8-16(3)9-13-19;1-3-2/h6-13,20-21H,4-5,14H2,1-3H3;3H,1H2,2H3
InChIKeyXEHWBHDALRJQTJ-UHFFFAOYSA-N
XLogP6.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835
(2E)-3,6-dimethyl-5-(4-methylanilino)hepta-2,6-dienal
CID 130192705
(Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine
CID 130369980
(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine
CID 142994215
ethane;1-ethyl-4-methylbenzene;prop-1-ene
CID 143347591
bis(chloromethyl (2S)-2-(4-methylanilino)-3-phenylpropanoate);formaldehyde
CID 139503130
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene
CID 143697278
sodium 2-(4-methylanilino)-3-naphthalen-2-ylpropanoate
CID 139753308
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
ethyl (2S)-3-hydroxy-2-(4-methylanilino)propanoate
CID 167650197
2-(4-methylanilino)butanehydrazide
CID 25219138

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene?
The IUPAC name of 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene (CID 177337269) is 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene.
What is the SMILES notation for 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene?
The canonical SMILES for 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene is C=C(CC)C(Cc1ccc(C)cc1)Nc1ccc(C)cc1.C=CC.
What is the InChIKey of 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene?
The InChIKey is XEHWBHDALRJQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N.C3H6/c1-5-17(4)20(14-18-10-6-15(2)7-11-18)21-19-12-8-16(3)9-13-19;1-3-2/h6-13,20-21H,4-5,14H2,1-3H3;3H,1H2,2H3.
What are the key properties of 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene?
4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene has a molecular weight of 321.51 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene is sourced from PubChem (CID 177337269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).