ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one

C15H31NO — CID 142227947

IUPACethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one
SMILESCC.CCC(=O)C(CC1(C)CCCCC1)NC
InChIInChI=1S/C13H25NO.C2H6/c1-4-12(15)11(14-3)10-13(2)8-6-5-7-9-13;1-2/h11,14H,4-10H2,1-3H3;1-2H3
InChIKeyXOGCHVFQISCHRX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.94
Rot. Bonds5

About ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one

ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one (PubChem CID 142227947) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one.

Molecular Properties

Compound Nameethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one
PubChem CID142227947
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one
SMILESCC.CCC(=O)C(CC1(C)CCCCC1)NC
InChIInChI=1S/C13H25NO.C2H6/c1-4-12(15)11(14-3)10-13(2)8-6-5-7-9-13;1-2/h11,14H,4-10H2,1-3H3;1-2H3
InChIKeyXOGCHVFQISCHRX-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one?
The IUPAC name of ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one (CID 142227947) is ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one.
What is the SMILES notation for ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one?
The canonical SMILES for ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one is CC.CCC(=O)C(CC1(C)CCCCC1)NC.
What is the InChIKey of ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one?
The InChIKey is XOGCHVFQISCHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C2H6/c1-4-12(15)11(14-3)10-13(2)8-6-5-7-9-13;1-2/h11,14H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one?
ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one has a molecular weight of 241.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one is sourced from PubChem (CID 142227947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).