(3S)-4-cyclohexyl-3-(methylamino)butan-2-one

C11H21NO — CID 59960224

IUPAC(3S)-4-cyclohexyl-3-(methylamino)butan-2-one
SMILESCN[C@@H](CC1CCCCC1)C(C)=O
InChIInChI=1S/C11H21NO/c1-9(13)11(12-2)8-10-6-4-3-5-7-10/h10-12H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyBTHVNNURZQWZMV-NSHDSACASA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds4

About (3S)-4-cyclohexyl-3-(methylamino)butan-2-one

(3S)-4-cyclohexyl-3-(methylamino)butan-2-one (PubChem CID 59960224) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3S)-4-cyclohexyl-3-(methylamino)butan-2-one.

Molecular Properties

Compound Name(3S)-4-cyclohexyl-3-(methylamino)butan-2-one
PubChem CID59960224
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3S)-4-cyclohexyl-3-(methylamino)butan-2-one
SMILESCN[C@@H](CC1CCCCC1)C(C)=O
InChIInChI=1S/C11H21NO/c1-9(13)11(12-2)8-10-6-4-3-5-7-10/h10-12H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyBTHVNNURZQWZMV-NSHDSACASA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-cyclohexyl-3-(methylamino)butan-2-one?
The IUPAC name of (3S)-4-cyclohexyl-3-(methylamino)butan-2-one (CID 59960224) is (3S)-4-cyclohexyl-3-(methylamino)butan-2-one.
What is the SMILES notation for (3S)-4-cyclohexyl-3-(methylamino)butan-2-one?
The canonical SMILES for (3S)-4-cyclohexyl-3-(methylamino)butan-2-one is CN[C@@H](CC1CCCCC1)C(C)=O.
What is the InChIKey of (3S)-4-cyclohexyl-3-(methylamino)butan-2-one?
The InChIKey is BTHVNNURZQWZMV-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)11(12-2)8-10-6-4-3-5-7-10/h10-12H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-4-cyclohexyl-3-(methylamino)butan-2-one?
(3S)-4-cyclohexyl-3-(methylamino)butan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclohexyl-3-(methylamino)butan-2-one is sourced from PubChem (CID 59960224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).