3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine

C13H21N3 — CID 106833983

IUPAC3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2cccnn2)CC1C
InChIInChI=1S/C13H21N3/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-16-13/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3
InChIKeySGMANCCUGQTSHR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds3

About 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine

3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 106833983) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
PubChem CID106833983
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2cccnn2)CC1C
InChIInChI=1S/C13H21N3/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-16-13/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3
InChIKeySGMANCCUGQTSHR-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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Related Compounds

3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106834128
3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106894953
3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895177
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103399147
3,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexan-1-amine
CID 64739704
N-(pyridazin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106895183
3-(3-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895117
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
CID 64742849
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
2,2-dimethyl-3-(pyridazin-3-ylmethylamino)cyclobutan-1-ol
CID 106895006
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine (CID 106833983) is 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine is CC1CCC(NCc2cccnn2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is SGMANCCUGQTSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-16-13/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine?
3,4-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 3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106833983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).