2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine

C12H23N3O — CID 116724449

IUPAC2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCNC(c1ccnn1C)C(OC)C(C)(C)C
InChIInChI=1S/C12H23N3O/c1-12(2,3)11(16-6)10(13-4)9-7-8-14-15(9)5/h7-8,10-11,13H,1-6H3
InChIKeyVXTVOZGRTDPSEP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.74
Rot. Bonds4

About 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine

2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 116724449) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID116724449
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCNC(c1ccnn1C)C(OC)C(C)(C)C
InChIInChI=1S/C12H23N3O/c1-12(2,3)11(16-6)10(13-4)9-7-8-14-15(9)5/h7-8,10-11,13H,1-6H3
InChIKeyVXTVOZGRTDPSEP-UHFFFAOYSA-N
XLogP1.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724444
2-cyclohexyl-2-methoxy-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 116771490
N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine
CID 114029100
2-methoxy-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83827130
3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116713015
2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine
CID 79492637
2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine
CID 116759874
1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724590
2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile
CID 165477234
N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine
CID 105161334

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine (CID 116724449) is 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine is CNC(c1ccnn1C)C(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is VXTVOZGRTDPSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)11(16-6)10(13-4)9-7-8-14-15(9)5/h7-8,10-11,13H,1-6H3.
What are the key properties of 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine?
2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 116724449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).