2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine

C16H19N3 — CID 163892232

IUPAC2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine
SMILESC=C(C)/C(N)=C\c1nc2cc(N)c(C)cc2cc1C
InChIInChI=1S/C16H19N3/c1-9(2)13(17)7-15-11(4)6-12-5-10(3)14(18)8-16(12)19-15/h5-8H,1,17-18H2,2-4H3/b13-7+
InChIKeyQCMUEGZEDNSHTA-NTUHNPAUSA-N
MW253.35 g/mol
LogP3.31
Rot. Bonds2

About 2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine

2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine (PubChem CID 163892232) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine.

Molecular Properties

Compound Name2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine
PubChem CID163892232
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine
SMILESC=C(C)/C(N)=C\c1nc2cc(N)c(C)cc2cc1C
InChIInChI=1S/C16H19N3/c1-9(2)13(17)7-15-11(4)6-12-5-10(3)14(18)8-16(12)19-15/h5-8H,1,17-18H2,2-4H3/b13-7+
InChIKeyQCMUEGZEDNSHTA-NTUHNPAUSA-N
XLogP3.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine?
The IUPAC name of 2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine (CID 163892232) is 2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine.
What is the SMILES notation for 2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine?
The canonical SMILES for 2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine is C=C(C)/C(N)=C\c1nc2cc(N)c(C)cc2cc1C.
What is the InChIKey of 2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine?
The InChIKey is QCMUEGZEDNSHTA-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H19N3/c1-9(2)13(17)7-15-11(4)6-12-5-10(3)14(18)8-16(12)19-15/h5-8H,1,17-18H2,2-4H3/b13-7+.
What are the key properties of 2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine?
2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine has a molecular weight of 253.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-2-amino-3-methylbuta-1,3-dienyl]-3,6-dimethylquinolin-7-amine is sourced from PubChem (CID 163892232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).