4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide

C15H26N4O — CID 106896004

IUPAC4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCc1cccnn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)12(8-9-16)6-7-14(20)17-11-13-5-4-10-18-19-13/h4-5,10,12H,6-9,11,16H2,1-3H3,(H,17,20)
InChIKeyLSQZJDUYSBGJAS-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.88
Rot. Bonds7

About 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide

4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide (PubChem CID 106896004) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide
PubChem CID106896004
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCc1cccnn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)12(8-9-16)6-7-14(20)17-11-13-5-4-10-18-19-13/h4-5,10,12H,6-9,11,16H2,1-3H3,(H,17,20)
InChIKeyLSQZJDUYSBGJAS-UHFFFAOYSA-N
XLogP1.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139
4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416885
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106895482
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
CID 106896266
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896008
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide
CID 79231895
4-(2-aminoethyl)-5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide
CID 106396814
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide (CID 106896004) is 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide is CC(C)(C)C(CCN)CCC(=O)NCc1cccnn1.
What is the InChIKey of 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide?
The InChIKey is LSQZJDUYSBGJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)12(8-9-16)6-7-14(20)17-11-13-5-4-10-18-19-13/h4-5,10,12H,6-9,11,16H2,1-3H3,(H,17,20).
What are the key properties of 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide?
4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide has a molecular weight of 278.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide is sourced from PubChem (CID 106896004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).