5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione

C15H28N2O2 — CID 146735003

IUPAC5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione
SMILESCC(C)NC(CC(=O)N1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-11(2)16-12(14(19)15(3,4)5)10-13(18)17-8-6-7-9-17/h11-12,16H,6-10H2,1-5H3
InChIKeyRIZLKRUGFHJJQG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.98
Rot. Bonds5

About 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione

5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione (PubChem CID 146735003) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione
PubChem CID146735003
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione
SMILESCC(C)NC(CC(=O)N1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-11(2)16-12(14(19)15(3,4)5)10-13(18)17-8-6-7-9-17/h11-12,16H,6-10H2,1-5H3
InChIKeyRIZLKRUGFHJJQG-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione?
The IUPAC name of 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione (CID 146735003) is 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione is CC(C)NC(CC(=O)N1CCCC1)C(=O)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione?
The InChIKey is RIZLKRUGFHJJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)16-12(14(19)15(3,4)5)10-13(18)17-8-6-7-9-17/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione?
5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione has a molecular weight of 268.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(propan-2-ylamino)-1-pyrrolidin-1-ylhexane-1,4-dione is sourced from PubChem (CID 146735003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).