3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline

C35H47N — CID 89344348

IUPAC3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline
SMILESC=Cc1cccc(N(c2ccc(C(C)(CC)CCC)cc2)c2ccc(C(C)(CC)CCCC)cc2)c1
InChIInChI=1S/C35H47N/c1-8-13-26-35(7,12-5)30-19-23-32(24-20-30)36(33-16-14-15-28(10-3)27-33)31-21-17-29(18-22-31)34(6,11-4)25-9-2/h10,14-24,27H,3,8-9,11-13,25-26H2,1-2,4-7H3
InChIKeyGSYNTWSRNVLWNQ-UHFFFAOYSA-N
MW481.77 g/mol
LogP11.13
Rot. Bonds13

About 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline

3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline (PubChem CID 89344348) has the molecular formula C35H47N and a molecular weight of 481.77 g/mol. Its IUPAC name is 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline.

Molecular Properties

Compound Name3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline
PubChem CID89344348
Molecular FormulaC35H47N
Molecular Weight481.77 g/mol
Exact Mass481.37
IUPAC Name3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline
SMILESC=Cc1cccc(N(c2ccc(C(C)(CC)CCC)cc2)c2ccc(C(C)(CC)CCCC)cc2)c1
InChIInChI=1S/C35H47N/c1-8-13-26-35(7,12-5)30-19-23-32(24-20-30)36(33-16-14-15-28(10-3)27-33)31-21-17-29(18-22-31)34(6,11-4)25-9-2/h10,14-24,27H,3,8-9,11-13,25-26H2,1-2,4-7H3
InChIKeyGSYNTWSRNVLWNQ-UHFFFAOYSA-N
XLogP11.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline
CID 89294997
1-N,4-N-bis(3-ethenylphenyl)-1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]benzene-1,4-diamine;ethane;propane
CID 143729864
4-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]aniline
CID 143498666
3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline
CID 89294487
N,N-dibutyl-3-ethenylaniline
CID 66742864
ethane;3-ethenyl-N,N-diphenylaniline
CID 123345777
3-ethenyl-N-(3-ethenylphenyl)-N-phenylaniline
CID 58099838
N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline
CID 150846070
4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline
CID 89295001
1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene
CID 146621194
N-[4-(2-methylhexan-2-yl)phenyl]-4-[(E)-2-[4-[(E)-2-[4-(N-[4-(2-methylhexan-2-yl)phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 90305123
N,N-bis[4-(3-methylhexan-3-yl)phenyl]-4-(4-phenoxyphenyl)aniline
CID 71176881

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline?
The IUPAC name of 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline (CID 89344348) is 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline.
What is the SMILES notation for 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline?
The canonical SMILES for 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline is C=Cc1cccc(N(c2ccc(C(C)(CC)CCC)cc2)c2ccc(C(C)(CC)CCCC)cc2)c1.
What is the InChIKey of 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline?
The InChIKey is GSYNTWSRNVLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N/c1-8-13-26-35(7,12-5)30-19-23-32(24-20-30)36(33-16-14-15-28(10-3)27-33)31-21-17-29(18-22-31)34(6,11-4)25-9-2/h10,14-24,27H,3,8-9,11-13,25-26H2,1-2,4-7H3.
What are the key properties of 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline?
3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline has a molecular weight of 481.77 g/mol, XLogP of 11.13, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline is sourced from PubChem (CID 89344348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).