5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine

C19H25N3 — CID 88904534

IUPAC5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine
SMILESC=C/C(=N\C(=C\C=C(C)C)C(=C)C)c1ccc(N(C)C)nc1
InChIInChI=1S/C19H25N3/c1-8-17(16-10-12-19(20-13-16)22(6)7)21-18(15(4)5)11-9-14(2)3/h8-13H,1,4H2,2-3,5-7H3/b18-11+,21-17+
InChIKeyBBUDICXJZOXCLZ-ZZVQICPCSA-N
MW295.43 g/mol
LogP4.55
Rot. Bonds6

About 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine

5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine (PubChem CID 88904534) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine
PubChem CID88904534
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine
SMILESC=C/C(=N\C(=C\C=C(C)C)C(=C)C)c1ccc(N(C)C)nc1
InChIInChI=1S/C19H25N3/c1-8-17(16-10-12-19(20-13-16)22(6)7)21-18(15(4)5)11-9-14(2)3/h8-13H,1,4H2,2-3,5-7H3/b18-11+,21-17+
InChIKeyBBUDICXJZOXCLZ-ZZVQICPCSA-N
XLogP4.55
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine (CID 88904534) is 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine is C=C/C(=N\C(=C\C=C(C)C)C(=C)C)c1ccc(N(C)C)nc1.
What is the InChIKey of 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is BBUDICXJZOXCLZ-ZZVQICPCSA-N. The full InChI is InChI=1S/C19H25N3/c1-8-17(16-10-12-19(20-13-16)22(6)7)21-18(15(4)5)11-9-14(2)3/h8-13H,1,4H2,2-3,5-7H3/b18-11+,21-17+.
What are the key properties of 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine?
5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 295.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-C-ethenylcarbonimidoyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 88904534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).