2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline

C13H18N2 — CID 166676186

IUPAC2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline
SMILESC/C=C(\C=C/N)c1cc(C)cc(C)c1N
InChIInChI=1S/C13H18N2/c1-4-11(5-6-14)12-8-9(2)7-10(3)13(12)15/h4-8H,14-15H2,1-3H3/b6-5-,11-4+
InChIKeyWIFHLETWCPGYCR-VWXLBWAMSA-N
MW202.30 g/mol
LogP2.76
Rot. Bonds2

About 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline

2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline (PubChem CID 166676186) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline
PubChem CID166676186
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline
SMILESC/C=C(\C=C/N)c1cc(C)cc(C)c1N
InChIInChI=1S/C13H18N2/c1-4-11(5-6-14)12-8-9(2)7-10(3)13(12)15/h4-8H,14-15H2,1-3H3/b6-5-,11-4+
InChIKeyWIFHLETWCPGYCR-VWXLBWAMSA-N
XLogP2.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline?
The IUPAC name of 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline (CID 166676186) is 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline.
What is the SMILES notation for 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline?
The canonical SMILES for 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline is C/C=C(\C=C/N)c1cc(C)cc(C)c1N.
What is the InChIKey of 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline?
The InChIKey is WIFHLETWCPGYCR-VWXLBWAMSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-11(5-6-14)12-8-9(2)7-10(3)13(12)15/h4-8H,14-15H2,1-3H3/b6-5-,11-4+.
What are the key properties of 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline?
2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline has a molecular weight of 202.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline is sourced from PubChem (CID 166676186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).