5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one

C14H27NO2 — CID 79051380

IUPAC5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one
SMILESCCC(C)(C(=O)CCCC1CCCO1)N(C)C
InChIInChI=1S/C14H27NO2/c1-5-14(2,15(3)4)13(16)10-6-8-12-9-7-11-17-12/h12H,5-11H2,1-4H3
InChIKeyNVIPIDAFTQYCDS-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.64
Rot. Bonds7

About 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one

5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one (PubChem CID 79051380) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one.

Molecular Properties

Compound Name5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one
PubChem CID79051380
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one
SMILESCCC(C)(C(=O)CCCC1CCCO1)N(C)C
InChIInChI=1S/C14H27NO2/c1-5-14(2,15(3)4)13(16)10-6-8-12-9-7-11-17-12/h12H,5-11H2,1-4H3
InChIKeyNVIPIDAFTQYCDS-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one?
The IUPAC name of 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one (CID 79051380) is 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one.
What is the SMILES notation for 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one?
The canonical SMILES for 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one is CCC(C)(C(=O)CCCC1CCCO1)N(C)C.
What is the InChIKey of 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one?
The InChIKey is NVIPIDAFTQYCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-14(2,15(3)4)13(16)10-6-8-12-9-7-11-17-12/h12H,5-11H2,1-4H3.
What are the key properties of 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one?
5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one has a molecular weight of 241.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one is sourced from PubChem (CID 79051380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).