3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one

C14H26N2O — CID 166140427

IUPAC3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one
SMILESCC(C)C12CCN(C(=O)CCN(C)C)CC1C2
InChIInChI=1S/C14H26N2O/c1-11(2)14-6-8-16(10-12(14)9-14)13(17)5-7-15(3)4/h11-12H,5-10H2,1-4H3
InChIKeyRUOVHEWKKYMCFO-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.83
Rot. Bonds4

About 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one

3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one (PubChem CID 166140427) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one
PubChem CID166140427
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one
SMILESCC(C)C12CCN(C(=O)CCN(C)C)CC1C2
InChIInChI=1S/C14H26N2O/c1-11(2)14-6-8-16(10-12(14)9-14)13(17)5-7-15(3)4/h11-12H,5-10H2,1-4H3
InChIKeyRUOVHEWKKYMCFO-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one with MolForge

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Related Compounds

1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)butan-1-one
CID 166140429
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
3-(dimethylamino)-1-[4-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 112537564
3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
CID 176837634
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110603336
1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pentane-1,4-dione
CID 81103621
N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate
CID 23153551
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
3-(4-chlorophenyl)-1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 110617917
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110481652

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one (CID 166140427) is 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one is CC(C)C12CCN(C(=O)CCN(C)C)CC1C2.
What is the InChIKey of 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one?
The InChIKey is RUOVHEWKKYMCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)14-6-8-16(10-12(14)9-14)13(17)5-7-15(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one?
3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one has a molecular weight of 238.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one is sourced from PubChem (CID 166140427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).