1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine

C17H23N3 — CID 105187892

IUPAC1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2cc(C)nnc2C)c1
InChIInChI=1S/C17H23N3/c1-5-7-14-8-6-9-15(11-14)17(18-4)16-10-12(2)19-20-13(16)3/h6,8-11,17-18H,5,7H2,1-4H3
InChIKeyQOUWEXBFWGBATK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.35
Rot. Bonds5

About 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine

1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine (PubChem CID 105187892) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine
PubChem CID105187892
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2cc(C)nnc2C)c1
InChIInChI=1S/C17H23N3/c1-5-7-14-8-6-9-15(11-14)17(18-4)16-10-12(2)19-20-13(16)3/h6,8-11,17-18H,5,7H2,1-4H3
InChIKeyQOUWEXBFWGBATK-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine
CID 105083769
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050302
1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544137
1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116543823
[(3,6-dimethylpyridazin-4-yl)-(4-propylphenyl)methyl]hydrazine
CID 105303880
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187988
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
CID 105083698
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propylphenyl)methanamine
CID 116544148
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050441
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine (CID 105187892) is 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine is CCCc1cccc(C(NC)c2cc(C)nnc2C)c1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine?
The InChIKey is QOUWEXBFWGBATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-7-14-8-6-9-15(11-14)17(18-4)16-10-12(2)19-20-13(16)3/h6,8-11,17-18H,5,7H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine?
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.35, 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)-N-methyl-1-(3-propylphenyl)methanamine is sourced from PubChem (CID 105187892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).