1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine

C12H26N2 — CID 177092857

IUPAC1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine
SMILESCC(C)(C)C(N1CCCN1)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)10(12(4,5)6)14-9-7-8-13-14/h10,13H,7-9H2,1-6H3
InChIKeyLIPNXLKCOYSVNW-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.66
Rot. Bonds1

About 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine

1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine (PubChem CID 177092857) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine.

Molecular Properties

Compound Name1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine
PubChem CID177092857
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine
SMILESCC(C)(C)C(N1CCCN1)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)10(12(4,5)6)14-9-7-8-13-14/h10,13H,7-9H2,1-6H3
InChIKeyLIPNXLKCOYSVNW-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine?
The IUPAC name of 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine (CID 177092857) is 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine.
What is the SMILES notation for 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine?
The canonical SMILES for 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine is CC(C)(C)C(N1CCCN1)C(C)(C)C.
What is the InChIKey of 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine?
The InChIKey is LIPNXLKCOYSVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)10(12(4,5)6)14-9-7-8-13-14/h10,13H,7-9H2,1-6H3.
What are the key properties of 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine?
1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine has a molecular weight of 198.35 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine is sourced from PubChem (CID 177092857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).