3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine

C13H25N3O — CID 114228588

IUPAC3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
SMILESCNC(Cn1nc(C)c(C)c1C)C(C)(C)OC
InChIInChI=1S/C13H25N3O/c1-9-10(2)15-16(11(9)3)8-12(14-6)13(4,5)17-7/h12,14H,8H2,1-7H3
InChIKeyNHPJILKVSDOJJP-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.82
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine

3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine (PubChem CID 114228588) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
PubChem CID114228588
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
SMILESCNC(Cn1nc(C)c(C)c1C)C(C)(C)OC
InChIInChI=1S/C13H25N3O/c1-9-10(2)15-16(11(9)3)8-12(14-6)13(4,5)17-7/h12,14H,8H2,1-7H3
InChIKeyNHPJILKVSDOJJP-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one
CID 114228634
1-cyclopentyl-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 113448415
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 79198132
1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 113317677
N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
CID 62038265
N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
CID 46974211
N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)pentan-2-amine
CID 62043193
N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
CID 95833241
(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 100688738
(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
CID 7258416
3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79198374
2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 79621605

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine (CID 114228588) is 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine is CNC(Cn1nc(C)c(C)c1C)C(C)(C)OC.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine?
The InChIKey is NHPJILKVSDOJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9-10(2)15-16(11(9)3)8-12(14-6)13(4,5)17-7/h12,14H,8H2,1-7H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine?
3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine is sourced from PubChem (CID 114228588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).