4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine

C11H21N3O — CID 103024992

IUPAC4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-11(2,15-4)6-10(12)5-9-7-13-14(3)8-9/h7-8,10H,5-6,12H2,1-4H3
InChIKeyJXEWYFZADBVPLH-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.11
Rot. Bonds5

About 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine

4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine (PubChem CID 103024992) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
PubChem CID103024992
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-11(2,15-4)6-10(12)5-9-7-13-14(3)8-9/h7-8,10H,5-6,12H2,1-4H3
InChIKeyJXEWYFZADBVPLH-UHFFFAOYSA-N
XLogP1.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine (CID 103024992) is 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine is COC(C)(C)CC(N)Cc1cnn(C)c1.
What is the InChIKey of 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The InChIKey is JXEWYFZADBVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,15-4)6-10(12)5-9-7-13-14(3)8-9/h7-8,10H,5-6,12H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine is sourced from PubChem (CID 103024992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).