3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine

C11H19N3O — CID 106895342

IUPAC3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
SMILESCOC(C)(C)CCNCc1cccnn1
InChIInChI=1S/C11H19N3O/c1-11(2,15-3)6-8-12-9-10-5-4-7-13-14-10/h4-5,7,12H,6,8-9H2,1-3H3
InChIKeyGKFWBWRHJWNWNY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.38
Rot. Bonds6

About 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine

3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine (PubChem CID 106895342) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
PubChem CID106895342
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
SMILESCOC(C)(C)CCNCc1cccnn1
InChIInChI=1S/C11H19N3O/c1-11(2,15-3)6-8-12-9-10-5-4-7-13-14-10/h4-5,7,12H,6,8-9H2,1-3H3
InChIKeyGKFWBWRHJWNWNY-UHFFFAOYSA-N
XLogP1.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895756
2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895861
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895779
2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895805
N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 106899543
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea
CID 20557856
tert-butyl N-[3-methyl-2-[(pyridazin-3-ylmethylamino)methyl]butyl]carbamate
CID 107442905
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
N-[(3-bromophenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033220
(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol
CID 112742140

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine (CID 106895342) is 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine is COC(C)(C)CCNCc1cccnn1.
What is the InChIKey of 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine?
The InChIKey is GKFWBWRHJWNWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,15-3)6-8-12-9-10-5-4-7-13-14-10/h4-5,7,12H,6,8-9H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine?
3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 106895342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).