2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine

C11H21N3 — CID 79621605

IUPAC2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(CC(C)(C)CN)c(C)c1C
InChIInChI=1S/C11H21N3/c1-8-9(2)13-14(10(8)3)7-11(4,5)6-12/h6-7,12H2,1-5H3
InChIKeyWJRLRLXCYZYGLK-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.79
Rot. Bonds3

About 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine

2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine (PubChem CID 79621605) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
PubChem CID79621605
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(CC(C)(C)CN)c(C)c1C
InChIInChI=1S/C11H21N3/c1-8-9(2)13-14(10(8)3)7-11(4,5)6-12/h6-7,12H2,1-5H3
InChIKeyWJRLRLXCYZYGLK-UHFFFAOYSA-N
XLogP1.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine (CID 79621605) is 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine is Cc1nn(CC(C)(C)CN)c(C)c1C.
What is the InChIKey of 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is WJRLRLXCYZYGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8-9(2)13-14(10(8)3)7-11(4,5)6-12/h6-7,12H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 79621605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).