3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane

C14H28N2O2 — CID 142239544

IUPAC3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane
SMILESCC.CC(C)(C)C(=O)C(N)CC(=O)N1CCCC1
InChIInChI=1S/C12H22N2O2.C2H6/c1-12(2,3)11(16)9(13)8-10(15)14-6-4-5-7-14;1-2/h9H,4-8,13H2,1-3H3;1-2H3
InChIKeyLICQDQNOZVTHIE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane

3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane (PubChem CID 142239544) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane
PubChem CID142239544
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane
SMILESCC.CC(C)(C)C(=O)C(N)CC(=O)N1CCCC1
InChIInChI=1S/C12H22N2O2.C2H6/c1-12(2,3)11(16)9(13)8-10(15)14-6-4-5-7-14;1-2/h9H,4-8,13H2,1-3H3;1-2H3
InChIKeyLICQDQNOZVTHIE-UHFFFAOYSA-N
XLogP1.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane?
The IUPAC name of 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane (CID 142239544) is 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane.
What is the SMILES notation for 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane?
The canonical SMILES for 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane is CC.CC(C)(C)C(=O)C(N)CC(=O)N1CCCC1.
What is the InChIKey of 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane?
The InChIKey is LICQDQNOZVTHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C2H6/c1-12(2,3)11(16)9(13)8-10(15)14-6-4-5-7-14;1-2/h9H,4-8,13H2,1-3H3;1-2H3.
What are the key properties of 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane?
3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane has a molecular weight of 256.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-1-pyrrolidin-1-ylhexane-1,4-dione;ethane is sourced from PubChem (CID 142239544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).