1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine

C11H21N3O — CID 106757835

IUPAC1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
SMILESCCC(COC)NC(C)c1ccnn1C
InChIInChI=1S/C11H21N3O/c1-5-10(8-15-4)13-9(2)11-6-7-12-14(11)3/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeySKGNTZQWIZUVOV-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.50
Rot. Bonds6

About 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine

1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine (PubChem CID 106757835) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
PubChem CID106757835
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
SMILESCCC(COC)NC(C)c1ccnn1C
InChIInChI=1S/C11H21N3O/c1-5-10(8-15-4)13-9(2)11-6-7-12-14(11)3/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeySKGNTZQWIZUVOV-UHFFFAOYSA-N
XLogP1.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine
CID 106757702
1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757173
methyl 3-methyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]butanoate
CID 106757059
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106756922
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757101
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354
tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate
CID 107093787
6-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106757206
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757127

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine (CID 106757835) is 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine is CCC(COC)NC(C)c1ccnn1C.
What is the InChIKey of 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine?
The InChIKey is SKGNTZQWIZUVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-10(8-15-4)13-9(2)11-6-7-12-14(11)3/h6-7,9-10,13H,5,8H2,1-4H3.
What are the key properties of 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine?
1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 106757835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).