2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine

C12H21N3 — CID 106759062

IUPAC2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1ccnn1C
InChIInChI=1S/C12H21N3/c1-4-12(5-2)9(8-11(12)13)10-6-7-14-15(10)3/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyGWOGKNOHUWZHIV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.04
Rot. Bonds3

About 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine

2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine (PubChem CID 106759062) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine
PubChem CID106759062
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1ccnn1C
InChIInChI=1S/C12H21N3/c1-4-12(5-2)9(8-11(12)13)10-6-7-14-15(10)3/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyGWOGKNOHUWZHIV-UHFFFAOYSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine (CID 106759062) is 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine is CCC1(CC)C(N)CC1c1ccnn1C.
What is the InChIKey of 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine?
The InChIKey is GWOGKNOHUWZHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(5-2)9(8-11(12)13)10-6-7-14-15(10)3/h6-7,9,11H,4-5,8,13H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine?
2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(2-methylpyrazol-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 106759062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).