N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine

C13H24N4O — CID 62283074

IUPACN-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)C(C)COC)nn1
InChIInChI=1S/C13H24N4O/c1-5-8-14-9-12-6-7-13(16-15-12)17(3)11(2)10-18-4/h6-7,11,14H,5,8-10H2,1-4H3
InChIKeyOHOLQAFJQYVFJN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine

N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine (PubChem CID 62283074) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
PubChem CID62283074
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)C(C)COC)nn1
InChIInChI=1S/C13H24N4O/c1-5-8-14-9-12-6-7-13(16-15-12)17(3)11(2)10-18-4/h6-7,11,14H,5,8-10H2,1-4H3
InChIKeyOHOLQAFJQYVFJN-UHFFFAOYSA-N
XLogP1.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62287618
N-(2-methoxyethyl)-N-propan-2-yl-6-(propylaminomethyl)pyridazin-3-amine
CID 82953348
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62293320
N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294261
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-2-amine
CID 62283072
N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62293538
N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294145
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-(propylaminomethyl)pyridin-2-amine
CID 62288685
6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine
CID 62283025
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279753

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine (CID 62283074) is N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine is CCCNCc1ccc(N(C)C(C)COC)nn1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
The InChIKey is OHOLQAFJQYVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-8-14-9-12-6-7-13(16-15-12)17(3)11(2)10-18-4/h6-7,11,14H,5,8-10H2,1-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine is sourced from PubChem (CID 62283074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).