3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine

C18H28FN3 — CID 166651474

IUPAC3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine
SMILESC=C(C)C1=C(N)C(C(C)(C)C)N(C)N(CC(=C)C(=C)F)C1=C
InChIInChI=1S/C18H28FN3/c1-11(2)15-14(5)22(10-12(3)13(4)19)21(9)17(16(15)20)18(6,7)8/h17H,1,3-5,10,20H2,2,6-9H3
InChIKeyKLNGLUCFHFVUQO-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.91
Rot. Bonds4

About 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine

3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine (PubChem CID 166651474) has the molecular formula C18H28FN3 and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine
PubChem CID166651474
Molecular FormulaC18H28FN3
Molecular Weight305.44 g/mol
Exact Mass305.23
IUPAC Name3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine
SMILESC=C(C)C1=C(N)C(C(C)(C)C)N(C)N(CC(=C)C(=C)F)C1=C
InChIInChI=1S/C18H28FN3/c1-11(2)15-14(5)22(10-12(3)13(4)19)21(9)17(16(15)20)18(6,7)8/h17H,1,3-5,10,20H2,2,6-9H3
InChIKeyKLNGLUCFHFVUQO-UHFFFAOYSA-N
XLogP3.91
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine?
The IUPAC name of 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine (CID 166651474) is 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine.
What is the SMILES notation for 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine?
The canonical SMILES for 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine is C=C(C)C1=C(N)C(C(C)(C)C)N(C)N(CC(=C)C(=C)F)C1=C.
What is the InChIKey of 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine?
The InChIKey is KLNGLUCFHFVUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3/c1-11(2)15-14(5)22(10-12(3)13(4)19)21(9)17(16(15)20)18(6,7)8/h17H,1,3-5,10,20H2,2,6-9H3.
What are the key properties of 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine?
3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine has a molecular weight of 305.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3-fluoro-2-methylidenebut-3-enyl)-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazin-4-amine is sourced from PubChem (CID 166651474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).