ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone

C14H34N2O — CID 142926583

IUPACethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
SMILESCC.CC.CC(=O)N1CCCC(C)C1.CNC
InChIInChI=1S/C8H15NO.C2H7N.2C2H6/c1-7-4-3-5-9(6-7)8(2)10;1-3-2;2*1-2/h7H,3-6H2,1-2H3;3H,1-2H3;2*1-2H3
InChIKeyZDODRQHSCJNLLI-UHFFFAOYSA-N
MW246.44 g/mol
LogP3.15
Rot. Bonds

About ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone

ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 142926583) has the molecular formula C14H34N2O and a molecular weight of 246.44 g/mol. Its IUPAC name is ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
PubChem CID142926583
Molecular FormulaC14H34N2O
Molecular Weight246.44 g/mol
Exact Mass246.27
IUPAC Nameethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
SMILESCC.CC.CC(=O)N1CCCC(C)C1.CNC
InChIInChI=1S/C8H15NO.C2H7N.2C2H6/c1-7-4-3-5-9(6-7)8(2)10;1-3-2;2*1-2/h7H,3-6H2,1-2H3;3H,1-2H3;2*1-2H3
InChIKeyZDODRQHSCJNLLI-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
3-methylpiperidine-1-carboxylic acid
CID 22047728
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 62836548
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
3-methylpiperidine-1-carboxamide
CID 16786142
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone (CID 142926583) is ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone is CC.CC.CC(=O)N1CCCC(C)C1.CNC.
What is the InChIKey of ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is ZDODRQHSCJNLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H7N.2C2H6/c1-7-4-3-5-9(6-7)8(2)10;1-3-2;2*1-2/h7H,3-6H2,1-2H3;3H,1-2H3;2*1-2H3.
What are the key properties of ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone?
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 246.44 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 142926583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).