1-[4-(methylamino)cyclohexyl]ethanone

C9H17NO — CID 22083192

IUPAC1-[4-(methylamino)cyclohexyl]ethanone
SMILESCNC1CCC(C(C)=O)CC1
InChIInChI=1S/C9H17NO/c1-7(11)8-3-5-9(10-2)6-4-8/h8-10H,3-6H2,1-2H3
InChIKeyRITIIXQKOMLOLP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds2

About 1-[4-(methylamino)cyclohexyl]ethanone

1-[4-(methylamino)cyclohexyl]ethanone (PubChem CID 22083192) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[4-(methylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)cyclohexyl]ethanone
PubChem CID22083192
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[4-(methylamino)cyclohexyl]ethanone
SMILESCNC1CCC(C(C)=O)CC1
InChIInChI=1S/C9H17NO/c1-7(11)8-3-5-9(10-2)6-4-8/h8-10H,3-6H2,1-2H3
InChIKeyRITIIXQKOMLOLP-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)cyclohexyl]ethanone?
The IUPAC name of 1-[4-(methylamino)cyclohexyl]ethanone (CID 22083192) is 1-[4-(methylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(methylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-[4-(methylamino)cyclohexyl]ethanone is CNC1CCC(C(C)=O)CC1.
What is the InChIKey of 1-[4-(methylamino)cyclohexyl]ethanone?
The InChIKey is RITIIXQKOMLOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(11)8-3-5-9(10-2)6-4-8/h8-10H,3-6H2,1-2H3.
What are the key properties of 1-[4-(methylamino)cyclohexyl]ethanone?
1-[4-(methylamino)cyclohexyl]ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)cyclohexyl]ethanone is sourced from PubChem (CID 22083192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).