7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one

C17H34N2O2 — CID 134189516

IUPAC7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one
SMILESCC(C)NC(CCCCC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-14(2)18-15(8-6-7-9-17(3,4)5)16(20)19-10-12-21-13-11-19/h14-15,18H,6-13H2,1-5H3
InChIKeyUNFYOADZFOEOSL-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds7

About 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one

7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one (PubChem CID 134189516) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one.

Molecular Properties

Compound Name7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one
PubChem CID134189516
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one
SMILESCC(C)NC(CCCCC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-14(2)18-15(8-6-7-9-17(3,4)5)16(20)19-10-12-21-13-11-19/h14-15,18H,6-13H2,1-5H3
InChIKeyUNFYOADZFOEOSL-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one?
The IUPAC name of 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one (CID 134189516) is 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one.
What is the SMILES notation for 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one?
The canonical SMILES for 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one is CC(C)NC(CCCCC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one?
The InChIKey is UNFYOADZFOEOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14(2)18-15(8-6-7-9-17(3,4)5)16(20)19-10-12-21-13-11-19/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one?
7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one has a molecular weight of 298.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-morpholin-4-yl-2-(propan-2-ylamino)octan-1-one is sourced from PubChem (CID 134189516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).