ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one

C11H26N2O — CID 159534775

IUPACethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one
SMILESC.CC.CCC(=O)N1CN(C(C)C)C1
InChIInChI=1S/C8H16N2O.C2H6.CH4/c1-4-8(11)10-5-9(6-10)7(2)3;1-2;/h7H,4-6H2,1-3H3;1-2H3;1H4
InChIKeyMDLJXQPPPGFPDI-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.53
Rot. Bonds2

About ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one

ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one (PubChem CID 159534775) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Nameethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one
PubChem CID159534775
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one
SMILESC.CC.CCC(=O)N1CN(C(C)C)C1
InChIInChI=1S/C8H16N2O.C2H6.CH4/c1-4-8(11)10-5-9(6-10)7(2)3;1-2;/h7H,4-6H2,1-3H3;1-2H3;1H4
InChIKeyMDLJXQPPPGFPDI-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-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

1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one
CID 140968598
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
1-[3-(1-hydroxyprop-2-enyl)-5-(1-hydroxypropyl)-1,3,5-triazinan-1-yl]propan-1-one
CID 143113720
1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one
CID 126603690
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
1-(azepan-1-yl)propan-1-one
CID 3613534
1-[4-(1-bromoethyl)piperidin-1-yl]propan-1-one
CID 106839427
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one?
The IUPAC name of ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one (CID 159534775) is ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one.
What is the SMILES notation for ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one?
The canonical SMILES for ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one is C.CC.CCC(=O)N1CN(C(C)C)C1.
What is the InChIKey of ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one?
The InChIKey is MDLJXQPPPGFPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2H6.CH4/c1-4-8(11)10-5-9(6-10)7(2)3;1-2;/h7H,4-6H2,1-3H3;1-2H3;1H4.
What are the key properties of ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one?
ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one has a molecular weight of 202.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one is sourced from PubChem (CID 159534775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).