N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine

C12H21N3O — CID 105165710

IUPACN-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1cc(C)nnc1C
InChIInChI=1S/C12H21N3O/c1-5-6-13-12(8-16-4)11-7-9(2)14-15-10(11)3/h7,12-13H,5-6,8H2,1-4H3
InChIKeyVEYBAXWQWMQAQH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.78
Rot. Bonds6

About N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine

N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine (PubChem CID 105165710) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine
PubChem CID105165710
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1cc(C)nnc1C
InChIInChI=1S/C12H21N3O/c1-5-6-13-12(8-16-4)11-7-9(2)14-15-10(11)3/h7,12-13H,5-6,8H2,1-4H3
InChIKeyVEYBAXWQWMQAQH-UHFFFAOYSA-N
XLogP1.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 64989903
N-[1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169282
[1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethyl]hydrazine
CID 105321504
N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 105095516
N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine
CID 105139349
1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine
CID 105158444
N-[1-(3,6-dimethylpyridazin-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105159598
1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163793
1-(3,6-dimethylpyridazin-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156981
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[2-methoxy-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790452
3-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-N-propylpentan-1-amine
CID 105176711

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine (CID 105165710) is N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine is CCCNC(COC)c1cc(C)nnc1C.
What is the InChIKey of N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine?
The InChIKey is VEYBAXWQWMQAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-13-12(8-16-4)11-7-9(2)14-15-10(11)3/h7,12-13H,5-6,8H2,1-4H3.
What are the key properties of N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine?
N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 105165710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).