(3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline

C15H21N — CID 143627211

IUPAC(3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline
SMILESC=C/C(C)=C\C(=C)C.Cc1ccc(N)cc1
InChIInChI=1S/C8H12.C7H9N/c1-5-8(4)6-7(2)3;1-6-2-4-7(8)5-3-6/h5-6H,1-2H2,3-4H3;2-5H,8H2,1H3/b8-6-;
InChIKeyOFYNUKDHSWVQGO-PHZXCRFESA-N
MW215.34 g/mol
LogP4.27
Rot. Bonds2

About (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline

(3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline (PubChem CID 143627211) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline.

Molecular Properties

Compound Name(3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline
PubChem CID143627211
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline
SMILESC=C/C(C)=C\C(=C)C.Cc1ccc(N)cc1
InChIInChI=1S/C8H12.C7H9N/c1-5-8(4)6-7(2)3;1-6-2-4-7(8)5-3-6/h5-6H,1-2H2,3-4H3;2-5H,8H2,1H3/b8-6-;
InChIKeyOFYNUKDHSWVQGO-PHZXCRFESA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline?
The IUPAC name of (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline (CID 143627211) is (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline.
What is the SMILES notation for (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline?
The canonical SMILES for (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline is C=C/C(C)=C\C(=C)C.Cc1ccc(N)cc1.
What is the InChIKey of (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline?
The InChIKey is OFYNUKDHSWVQGO-PHZXCRFESA-N. The full InChI is InChI=1S/C8H12.C7H9N/c1-5-8(4)6-7(2)3;1-6-2-4-7(8)5-3-6/h5-6H,1-2H2,3-4H3;2-5H,8H2,1H3/b8-6-;.
What are the key properties of (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline?
(3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline has a molecular weight of 215.34 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline is sourced from PubChem (CID 143627211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).