3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine

C13H21N3 — CID 106834128

IUPAC3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cccnn2)C1
InChIInChI=1S/C13H21N3/c1-10-6-11(2)8-13(7-10)14-9-12-4-3-5-15-16-12/h3-5,10-11,13-14H,6-9H2,1-2H3
InChIKeyPLBOCZSRAVGDTA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds3

About 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine

3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 106834128) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
PubChem CID106834128
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cccnn2)C1
InChIInChI=1S/C13H21N3/c1-10-6-11(2)8-13(7-10)14-9-12-4-3-5-15-16-12/h3-5,10-11,13-14H,6-9H2,1-2H3
InChIKeyPLBOCZSRAVGDTA-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (CID 106834128) is 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine is CC1CC(C)CC(NCc2cccnn2)C1.
What is the InChIKey of 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is PLBOCZSRAVGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-6-11(2)8-13(7-10)14-9-12-4-3-5-15-16-12/h3-5,10-11,13-14H,6-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106834128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).