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

C11H21N3O — CID 116793754

IUPAC2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
SMILESCCC(C)(C)NCCOc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-5-11(2,3)12-6-7-15-10-8-13-14(4)9-10/h8-9,12H,5-7H2,1-4H3
InChIKeyQKANHAYSIPFVEJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.58
Rot. Bonds6

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

2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine (PubChem CID 116793754) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
PubChem CID116793754
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
SMILESCCC(C)(C)NCCOc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-5-11(2,3)12-6-7-15-10-8-13-14(4)9-10/h8-9,12H,5-7H2,1-4H3
InChIKeyQKANHAYSIPFVEJ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
3-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793697
N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116793723
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 107170931
5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
CID 116793720
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116793470
2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 116793677
1-methyl-4-(methylsulfonylmethoxy)pyrazole
CID 21465519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine (CID 116793754) is 2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine is CCC(C)(C)NCCOc1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine?
The InChIKey is QKANHAYSIPFVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-11(2,3)12-6-7-15-10-8-13-14(4)9-10/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine?
2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine is sourced from PubChem (CID 116793754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).