3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine

C12H19N3O — CID 106894953

IUPAC3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCCC(NCc2cccnn2)C1
InChIInChI=1S/C12H19N3O/c1-16-12-6-2-4-10(8-12)13-9-11-5-3-7-14-15-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3
InChIKeyJXMKKEUMYDPZMC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds4

About 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine

3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 106894953) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
PubChem CID106894953
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCCC(NCc2cccnn2)C1
InChIInChI=1S/C12H19N3O/c1-16-12-6-2-4-10(8-12)13-9-11-5-3-7-14-15-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3
InChIKeyJXMKKEUMYDPZMC-UHFFFAOYSA-N
XLogP1.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (CID 106894953) is 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine is COC1CCCC(NCc2cccnn2)C1.
What is the InChIKey of 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is JXMKKEUMYDPZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-12-6-2-4-10(8-12)13-9-11-5-3-7-14-15-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3.
What are the key properties of 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106894953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).