2,6-dimethyl-4-[(E)-pent-1-enyl]aniline

C13H19N — CID 141145800

IUPAC2,6-dimethyl-4-[(E)-pent-1-enyl]aniline
SMILESCCC/C=C/c1cc(C)c(N)c(C)c1
InChIInChI=1S/C13H19N/c1-4-5-6-7-12-8-10(2)13(14)11(3)9-12/h6-9H,4-5,14H2,1-3H3/b7-6+
InChIKeyPYONRBVTLHPAAK-VOTSOKGWSA-N
MW189.30 g/mol
LogP3.70
Rot. Bonds3

About 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline

2,6-dimethyl-4-[(E)-pent-1-enyl]aniline (PubChem CID 141145800) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-pent-1-enyl]aniline
PubChem CID141145800
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,6-dimethyl-4-[(E)-pent-1-enyl]aniline
SMILESCCC/C=C/c1cc(C)c(N)c(C)c1
InChIInChI=1S/C13H19N/c1-4-5-6-7-12-8-10(2)13(14)11(3)9-12/h6-9H,4-5,14H2,1-3H3/b7-6+
InChIKeyPYONRBVTLHPAAK-VOTSOKGWSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline?
The IUPAC name of 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline (CID 141145800) is 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline?
The canonical SMILES for 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline is CCC/C=C/c1cc(C)c(N)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline?
The InChIKey is PYONRBVTLHPAAK-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H19N/c1-4-5-6-7-12-8-10(2)13(14)11(3)9-12/h6-9H,4-5,14H2,1-3H3/b7-6+.
What are the key properties of 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline?
2,6-dimethyl-4-[(E)-pent-1-enyl]aniline has a molecular weight of 189.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-pent-1-enyl]aniline is sourced from PubChem (CID 141145800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).