1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine

C15H25N3O — CID 103374258

IUPAC1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)nn1)C1CCC(C)C(C)C1
InChIInChI=1S/C15H25N3O/c1-10-5-6-12(9-11(10)2)15(16-3)13-7-8-14(19-4)18-17-13/h7-8,10-12,15-16H,5-6,9H2,1-4H3
InChIKeyVKQBRKJMVOWWJD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.82
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine

1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine (PubChem CID 103374258) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
PubChem CID103374258
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)nn1)C1CCC(C)C(C)C1
InChIInChI=1S/C15H25N3O/c1-10-5-6-12(9-11(10)2)15(16-3)13-7-8-14(19-4)18-17-13/h7-8,10-12,15-16H,5-6,9H2,1-4H3
InChIKeyVKQBRKJMVOWWJD-UHFFFAOYSA-N
XLogP2.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine (CID 103374258) is 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine is CNC(c1ccc(OC)nn1)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
The InChIKey is VKQBRKJMVOWWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10-5-6-12(9-11(10)2)15(16-3)13-7-8-14(19-4)18-17-13/h7-8,10-12,15-16H,5-6,9H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 103374258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).