3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride

C9H18ClN3 — CID 20850075

IUPAC3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride
SMILESCC(C)(C)C(N)Cn1cccn1.Cl
InChIInChI=1S/C9H17N3.ClH/c1-9(2,3)8(10)7-12-6-4-5-11-12;/h4-6,8H,7,10H2,1-3H3;1H
InChIKeyUBSREWNABWZTKU-UHFFFAOYSA-N
MW203.72 g/mol
LogP1.68
Rot. Bonds2

About 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride

3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride (PubChem CID 20850075) has the molecular formula C9H18ClN3 and a molecular weight of 203.72 g/mol. Its IUPAC name is 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride
PubChem CID20850075
Molecular FormulaC9H18ClN3
Molecular Weight203.72 g/mol
Exact Mass203.12
IUPAC Name3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride
SMILESCC(C)(C)C(N)Cn1cccn1.Cl
InChIInChI=1S/C9H17N3.ClH/c1-9(2,3)8(10)7-12-6-4-5-11-12;/h4-6,8H,7,10H2,1-3H3;1H
InChIKeyUBSREWNABWZTKU-UHFFFAOYSA-N
XLogP1.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.72
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride (CID 20850075) is 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride is CC(C)(C)C(N)Cn1cccn1.Cl.
What is the InChIKey of 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride?
The InChIKey is UBSREWNABWZTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.ClH/c1-9(2,3)8(10)7-12-6-4-5-11-12;/h4-6,8H,7,10H2,1-3H3;1H.
What are the key properties of 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride?
3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride has a molecular weight of 203.72 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-pyrazol-1-ylbutan-2-amine;hydrochloride is sourced from PubChem (CID 20850075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).