2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine

C12H23N3 — CID 81020301

IUPAC2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine
SMILESCC(C)CNCC(C)C(C)n1cccn1
InChIInChI=1S/C12H23N3/c1-10(2)8-13-9-11(3)12(4)15-7-5-6-14-15/h5-7,10-13H,8-9H2,1-4H3
InChIKeyCSUCWNGTSOJEBT-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.33
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine

2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine (PubChem CID 81020301) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine
PubChem CID81020301
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine
SMILESCC(C)CNCC(C)C(C)n1cccn1
InChIInChI=1S/C12H23N3/c1-10(2)8-13-9-11(3)12(4)15-7-5-6-14-15/h5-7,10-13H,8-9H2,1-4H3
InChIKeyCSUCWNGTSOJEBT-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine (CID 81020301) is 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine is CC(C)CNCC(C)C(C)n1cccn1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine?
The InChIKey is CSUCWNGTSOJEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)8-13-9-11(3)12(4)15-7-5-6-14-15/h5-7,10-13H,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine?
2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine is sourced from PubChem (CID 81020301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).