1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine

C13H21N3O — CID 62297892

IUPAC1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine
SMILESCNCc1ccc(OC2CCCCCC2)nn1
InChIInChI=1S/C13H21N3O/c1-14-10-11-8-9-13(16-15-11)17-12-6-4-2-3-5-7-12/h8-9,12,14H,2-7,10H2,1H3
InChIKeyHZJHRHVUXGWODP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds4

About 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine

1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine (PubChem CID 62297892) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine
PubChem CID62297892
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine
SMILESCNCc1ccc(OC2CCCCCC2)nn1
InChIInChI=1S/C13H21N3O/c1-14-10-11-8-9-13(16-15-11)17-12-6-4-2-3-5-7-12/h8-9,12,14H,2-7,10H2,1H3
InChIKeyHZJHRHVUXGWODP-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine (CID 62297892) is 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine is CNCc1ccc(OC2CCCCCC2)nn1.
What is the InChIKey of 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine?
The InChIKey is HZJHRHVUXGWODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-10-11-8-9-13(16-15-11)17-12-6-4-2-3-5-7-12/h8-9,12,14H,2-7,10H2,1H3.
What are the key properties of 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine?
1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 62297892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).