1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione

C15H28N2O3 — CID 162779517

IUPAC1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione
SMILESCNC(C)(C)C1COCC(C)(C)N1C(=O)C(=O)C(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)12(18)13(19)17-11(15(5,6)16-7)8-20-9-14(17,3)4/h10-11,16H,8-9H2,1-7H3
InChIKeyMNOBHHUIKGFSJU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.22
Rot. Bonds4

About 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione

1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione (PubChem CID 162779517) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione.

Molecular Properties

Compound Name1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione
PubChem CID162779517
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione
SMILESCNC(C)(C)C1COCC(C)(C)N1C(=O)C(=O)C(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)12(18)13(19)17-11(15(5,6)16-7)8-20-9-14(17,3)4/h10-11,16H,8-9H2,1-7H3
InChIKeyMNOBHHUIKGFSJU-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione?
The IUPAC name of 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione (CID 162779517) is 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione.
What is the SMILES notation for 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione?
The canonical SMILES for 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione is CNC(C)(C)C1COCC(C)(C)N1C(=O)C(=O)C(C)C.
What is the InChIKey of 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione?
The InChIKey is MNOBHHUIKGFSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)12(18)13(19)17-11(15(5,6)16-7)8-20-9-14(17,3)4/h10-11,16H,8-9H2,1-7H3.
What are the key properties of 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione?
1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione has a molecular weight of 284.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]-3-methylbutane-1,2-dione is sourced from PubChem (CID 162779517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).