1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine

C13H22N4 — CID 116970916

IUPAC1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CCNc1ccc(C2CCC2)nn1
InChIInChI=1S/C13H22N4/c1-13(2,14)8-9-15-12-7-6-11(16-17-12)10-4-3-5-10/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,17)
InChIKeyYDXGXWOLPIXLBL-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.28
Rot. Bonds5

About 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine

1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine (PubChem CID 116970916) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine
PubChem CID116970916
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CCNc1ccc(C2CCC2)nn1
InChIInChI=1S/C13H22N4/c1-13(2,14)8-9-15-12-7-6-11(16-17-12)10-4-3-5-10/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,17)
InChIKeyYDXGXWOLPIXLBL-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine
CID 116970844
N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine
CID 116970742
1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
CID 116974637
2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile
CID 116971897
6-cyclobutyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116971097
2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
CID 116971289
3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116971340
N-ethyl-6-(1-methylpiperidin-4-yl)pyridazin-3-amine
CID 116973215
methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
CID 116972034
3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propanoic acid
CID 116971401
N-(azetidin-3-yl)-6-cyclopentylpyridazin-3-amine
CID 116970968
N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
CID 123960085

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine (CID 116970916) is 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine is CC(C)(N)CCNc1ccc(C2CCC2)nn1.
What is the InChIKey of 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine?
The InChIKey is YDXGXWOLPIXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2,14)8-9-15-12-7-6-11(16-17-12)10-4-3-5-10/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,17).
What are the key properties of 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine?
1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 116970916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).