4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one

C15H29NO — CID 116575430

IUPAC4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one
SMILESCCCC(C)CC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C15H29NO/c1-4-8-13(2)11-14(17)12-15(16-3)9-6-5-7-10-15/h13,16H,4-12H2,1-3H3
InChIKeyPUKSJXIIYVNPPW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.69
Rot. Bonds7

About 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one

4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one (PubChem CID 116575430) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one.

Molecular Properties

Compound Name4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one
PubChem CID116575430
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one
SMILESCCCC(C)CC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C15H29NO/c1-4-8-13(2)11-14(17)12-15(16-3)9-6-5-7-10-15/h13,16H,4-12H2,1-3H3
InChIKeyPUKSJXIIYVNPPW-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one?
The IUPAC name of 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one (CID 116575430) is 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one.
What is the SMILES notation for 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one?
The canonical SMILES for 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one is CCCC(C)CC(=O)CC1(NC)CCCCC1.
What is the InChIKey of 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one?
The InChIKey is PUKSJXIIYVNPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-8-13(2)11-14(17)12-15(16-3)9-6-5-7-10-15/h13,16H,4-12H2,1-3H3.
What are the key properties of 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one?
4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one has a molecular weight of 239.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one is sourced from PubChem (CID 116575430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).