6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine

C13H20ClN3 — CID 54949364

IUPAC6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine
SMILESCC1CCCC(N(C)c2ccc(CCl)nn2)C1
InChIInChI=1S/C13H20ClN3/c1-10-4-3-5-12(8-10)17(2)13-7-6-11(9-14)15-16-13/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeySMAIISMBUJHVQW-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.23
Rot. Bonds3

About 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine

6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine (PubChem CID 54949364) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine
PubChem CID54949364
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine
SMILESCC1CCCC(N(C)c2ccc(CCl)nn2)C1
InChIInChI=1S/C13H20ClN3/c1-10-4-3-5-12(8-10)17(2)13-7-6-11(9-14)15-16-13/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeySMAIISMBUJHVQW-UHFFFAOYSA-N
XLogP3.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine?
The IUPAC name of 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine (CID 54949364) is 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine?
The canonical SMILES for 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine is CC1CCCC(N(C)c2ccc(CCl)nn2)C1.
What is the InChIKey of 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine?
The InChIKey is SMAIISMBUJHVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-10-4-3-5-12(8-10)17(2)13-7-6-11(9-14)15-16-13/h6-7,10,12H,3-5,8-9H2,1-2H3.
What are the key properties of 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine?
6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine has a molecular weight of 253.78 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine is sourced from PubChem (CID 54949364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).