N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline

C13H15N — CID 177135056

IUPACN-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline
SMILESC=C/C=C\C(=C)Nc1ccc(C)cc1
InChIInChI=1S/C13H15N/c1-4-5-6-12(3)14-13-9-7-11(2)8-10-13/h4-10,14H,1,3H2,2H3/b6-5-
InChIKeyUEEYXSPSJYDZDG-WAYWQWQTSA-N
MW185.27 g/mol
LogP3.66
Rot. Bonds4

About N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline

N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline (PubChem CID 177135056) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline.

Molecular Properties

Compound NameN-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline
PubChem CID177135056
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline
SMILESC=C/C=C\C(=C)Nc1ccc(C)cc1
InChIInChI=1S/C13H15N/c1-4-5-6-12(3)14-13-9-7-11(2)8-10-13/h4-10,14H,1,3H2,2H3/b6-5-
InChIKeyUEEYXSPSJYDZDG-WAYWQWQTSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.66
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 N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline?
The IUPAC name of N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline (CID 177135056) is N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline.
What is the SMILES notation for N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline?
The canonical SMILES for N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline is C=C/C=C\C(=C)Nc1ccc(C)cc1.
What is the InChIKey of N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline?
The InChIKey is UEEYXSPSJYDZDG-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H15N/c1-4-5-6-12(3)14-13-9-7-11(2)8-10-13/h4-10,14H,1,3H2,2H3/b6-5-.
What are the key properties of N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline?
N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline has a molecular weight of 185.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline is sourced from PubChem (CID 177135056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).