2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide

C11H18N4O — CID 106896139

IUPAC2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
SMILESCC(C)(C)C(N)C(=O)NCc1cccnn1
InChIInChI=1S/C11H18N4O/c1-11(2,3)9(12)10(16)13-7-8-5-4-6-14-15-8/h4-6,9H,7,12H2,1-3H3,(H,13,16)
InChIKeyDORIUYPERHQURK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.47
Rot. Bonds3

About 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide

2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide (PubChem CID 106896139) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
PubChem CID106896139
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
SMILESCC(C)(C)C(N)C(=O)NCc1cccnn1
InChIInChI=1S/C11H18N4O/c1-11(2,3)9(12)10(16)13-7-8-5-4-6-14-15-8/h4-6,9H,7,12H2,1-3H3,(H,13,16)
InChIKeyDORIUYPERHQURK-UHFFFAOYSA-N
XLogP0.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(pyridazin-3-ylmethyl)pentanamide
CID 107570944
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896008
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106895482
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
CID 106896266
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146
4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide
CID 106896004
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106896210

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide (CID 106896139) is 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide is CC(C)(C)C(N)C(=O)NCc1cccnn1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide?
The InChIKey is DORIUYPERHQURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,3)9(12)10(16)13-7-8-5-4-6-14-15-8/h4-6,9H,7,12H2,1-3H3,(H,13,16).
What are the key properties of 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide?
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide is sourced from PubChem (CID 106896139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).