3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline

C29H41N — CID 166726359

IUPAC3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline
SMILESC=C(Nc1ccc(CCC)c(CC)c1)c1ccc(C(C)=C(CCC)CCC)c(C)c1
InChIInChI=1S/C29H41N/c1-8-12-25(13-9-2)22(6)29-18-16-27(19-21(29)5)23(7)30-28-17-15-26(14-10-3)24(11-4)20-28/h15-20,30H,7-14H2,1-6H3
InChIKeyRYDIZNACGCIUAF-UHFFFAOYSA-N
MW403.65 g/mol
LogP8.97
Rot. Bonds11

About 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline

3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline (PubChem CID 166726359) has the molecular formula C29H41N and a molecular weight of 403.65 g/mol. Its IUPAC name is 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline.

Molecular Properties

Compound Name3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline
PubChem CID166726359
Molecular FormulaC29H41N
Molecular Weight403.65 g/mol
Exact Mass403.32
IUPAC Name3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline
SMILESC=C(Nc1ccc(CCC)c(CC)c1)c1ccc(C(C)=C(CCC)CCC)c(C)c1
InChIInChI=1S/C29H41N/c1-8-12-25(13-9-2)22(6)29-18-16-27(19-21(29)5)23(7)30-28-17-15-26(14-10-3)24(11-4)20-28/h15-20,30H,7-14H2,1-6H3
InChIKeyRYDIZNACGCIUAF-UHFFFAOYSA-N
XLogP8.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline?
The IUPAC name of 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline (CID 166726359) is 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline.
What is the SMILES notation for 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline?
The canonical SMILES for 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline is C=C(Nc1ccc(CCC)c(CC)c1)c1ccc(C(C)=C(CCC)CCC)c(C)c1.
What is the InChIKey of 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline?
The InChIKey is RYDIZNACGCIUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N/c1-8-12-25(13-9-2)22(6)29-18-16-27(19-21(29)5)23(7)30-28-17-15-26(14-10-3)24(11-4)20-28/h15-20,30H,7-14H2,1-6H3.
What are the key properties of 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline?
3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline has a molecular weight of 403.65 g/mol, XLogP of 8.97, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline is sourced from PubChem (CID 166726359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).