(2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one

C11H21NO — CID 21305277

IUPAC(2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)C1CCCCC1
InChIInChI=1S/C11H21NO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h8-10H,3-7,12H2,1-2H3/t10-/m0/s1
InChIKeyIMUODBTWUYIIPZ-JTQLQIEISA-N
MW183.30 g/mol
LogP2.12
Rot. Bonds3

About (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one

(2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one (PubChem CID 21305277) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one
PubChem CID21305277
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)C1CCCCC1
InChIInChI=1S/C11H21NO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h8-10H,3-7,12H2,1-2H3/t10-/m0/s1
InChIKeyIMUODBTWUYIIPZ-JTQLQIEISA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one (CID 21305277) is (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one?
The InChIKey is IMUODBTWUYIIPZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h8-10H,3-7,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one?
(2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one has a molecular weight of 183.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-cyclohexyl-3-methylbutan-1-one is sourced from PubChem (CID 21305277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).