2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one

C12H21NO — CID 163725007

IUPAC2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CC2(CC(C)C2)C1
InChIInChI=1S/C12H21NO/c1-4-11(14)10(3)13-7-12(8-13)5-9(2)6-12/h9-10H,4-8H2,1-3H3
InChIKeyRHBKISHCIUCOIN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds3

About 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one

2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one (PubChem CID 163725007) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one.

Molecular Properties

Compound Name2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one
PubChem CID163725007
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CC2(CC(C)C2)C1
InChIInChI=1S/C12H21NO/c1-4-11(14)10(3)13-7-12(8-13)5-9(2)6-12/h9-10H,4-8H2,1-3H3
InChIKeyRHBKISHCIUCOIN-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;6-methyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 144515655
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one
CID 81474961
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one
CID 66393672
2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
CID 64866930
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
CID 102960462
2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine;2-methylbutane
CID 144515654
2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one
CID 81204253
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 99994089
2-(2-azaspiro[3.4]octan-2-yl)propanoic acid
CID 79686519
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636
(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)methanol
CID 162704145

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one?
The IUPAC name of 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one (CID 163725007) is 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one.
What is the SMILES notation for 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one?
The canonical SMILES for 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one is CCC(=O)C(C)N1CC2(CC(C)C2)C1.
What is the InChIKey of 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one?
The InChIKey is RHBKISHCIUCOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-11(14)10(3)13-7-12(8-13)5-9(2)6-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one?
2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-azaspiro[3.3]heptan-2-yl)pentan-3-one is sourced from PubChem (CID 163725007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).