2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline

C15H19N — CID 144989902

IUPAC2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=C(/Nc1c(C)cccc1C)C(=C)C
InChIInChI=1S/C15H19N/c1-6-8-14(11(2)3)16-15-12(4)9-7-10-13(15)5/h6-10,16H,1-2H2,3-5H3/b14-8+
InChIKeyAXJBVAKUJHGVJF-RIYZIHGNSA-N
MW213.32 g/mol
LogP4.36
Rot. Bonds4

About 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline

2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline (PubChem CID 144989902) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline
PubChem CID144989902
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=C(/Nc1c(C)cccc1C)C(=C)C
InChIInChI=1S/C15H19N/c1-6-8-14(11(2)3)16-15-12(4)9-7-10-13(15)5/h6-10,16H,1-2H2,3-5H3/b14-8+
InChIKeyAXJBVAKUJHGVJF-RIYZIHGNSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline?
The IUPAC name of 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline (CID 144989902) is 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline is C=C/C=C(/Nc1c(C)cccc1C)C(=C)C.
What is the InChIKey of 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline?
The InChIKey is AXJBVAKUJHGVJF-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H19N/c1-6-8-14(11(2)3)16-15-12(4)9-7-10-13(15)5/h6-10,16H,1-2H2,3-5H3/b14-8+.
What are the key properties of 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline?
2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline has a molecular weight of 213.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline is sourced from PubChem (CID 144989902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).