N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine

C16H22N4 — CID 62293538

IUPACN-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)c2cccc(C)c2)nn1
InChIInChI=1S/C16H22N4/c1-4-10-17-12-14-8-9-16(19-18-14)20(3)15-7-5-6-13(2)11-15/h5-9,11,17H,4,10,12H2,1-3H3
InChIKeyBPLLBNYXKOUETQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.05
Rot. Bonds6

About N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine

N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine (PubChem CID 62293538) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine
PubChem CID62293538
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)c2cccc(C)c2)nn1
InChIInChI=1S/C16H22N4/c1-4-10-17-12-14-8-9-16(19-18-14)20(3)15-7-5-6-13(2)11-15/h5-9,11,17H,4,10,12H2,1-3H3
InChIKeyBPLLBNYXKOUETQ-UHFFFAOYSA-N
XLogP3.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293001
N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294261
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752533
5-chloro-N-methyl-N-(3-methylphenyl)-2-(propylaminomethyl)aniline
CID 114850483
N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62283074
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-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294145
N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
CID 62280603
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62293320
N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279753
N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293176

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine (CID 62293538) is N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine is CCCNCc1ccc(N(C)c2cccc(C)c2)nn1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine?
The InChIKey is BPLLBNYXKOUETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-10-17-12-14-8-9-16(19-18-14)20(3)15-7-5-6-13(2)11-15/h5-9,11,17H,4,10,12H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine?
N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine is sourced from PubChem (CID 62293538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).