1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine

C12H23N3O — CID 103271036

IUPAC1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
SMILESCCOCC(NCc1cnn(C)c1)C(C)C
InChIInChI=1S/C12H23N3O/c1-5-16-9-12(10(2)3)13-6-11-7-14-15(4)8-11/h7-8,10,12-13H,5-6,9H2,1-4H3
InChIKeySGTQHUDCTYPKML-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.57
Rot. Bonds7

About 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine

1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine (PubChem CID 103271036) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
PubChem CID103271036
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
SMILESCCOCC(NCc1cnn(C)c1)C(C)C
InChIInChI=1S/C12H23N3O/c1-5-16-9-12(10(2)3)13-6-11-7-14-15(4)8-11/h7-8,10,12-13H,5-6,9H2,1-4H3
InChIKeySGTQHUDCTYPKML-UHFFFAOYSA-N
XLogP1.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049198
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114869
ethyl 2-[(1-methylpyrazol-4-yl)methylamino]butanoate
CID 64668955
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115716328
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632221
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 105114200
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43225826
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114899

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine?
The IUPAC name of 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine (CID 103271036) is 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine is CCOCC(NCc1cnn(C)c1)C(C)C.
What is the InChIKey of 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine?
The InChIKey is SGTQHUDCTYPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-16-9-12(10(2)3)13-6-11-7-14-15(4)8-11/h7-8,10,12-13H,5-6,9H2,1-4H3.
What are the key properties of 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine?
1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 103271036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).