1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine

C13H21N3 — CID 105163793

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cc(C)nnc1C
InChIInChI=1S/C13H21N3/c1-6-7-14-13(9(2)3)12-8-10(4)15-16-11(12)5/h8,13-14H,2,6-7H2,1,3-5H3
InChIKeyFAAADEXGDGIRBA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.71
Rot. Bonds5

About 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine

1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 105163793) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID105163793
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cc(C)nnc1C
InChIInChI=1S/C13H21N3/c1-6-7-14-13(9(2)3)12-8-10(4)15-16-11(12)5/h8,13-14H,2,6-7H2,1,3-5H3
InChIKeyFAAADEXGDGIRBA-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107504040
1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005528
1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine
CID 105158444
N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine
CID 105165710
2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
CID 106755556
2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105005165
N-[(3,6-dimethylpyridazin-4-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143284
N-[(3,6-dimethylpyridazin-4-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105119145
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105143076
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275
N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100685

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine (CID 105163793) is 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is FAAADEXGDGIRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-6-7-14-13(9(2)3)12-8-10(4)15-16-11(12)5/h8,13-14H,2,6-7H2,1,3-5H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine?
1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105163793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).