(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one

C13H25NO — CID 121368311

IUPAC(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12(15)11(14)9-10-7-5-4-6-8-10/h10-11H,4-9,14H2,1-3H3/t11-/m1/s1
InChIKeyWKHGLYZTVMQGCE-LLVKDONJSA-N
MW211.35 g/mol
LogP2.90
Rot. Bonds3

About (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one

(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one (PubChem CID 121368311) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
PubChem CID121368311
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12(15)11(14)9-10-7-5-4-6-8-10/h10-11H,4-9,14H2,1-3H3/t11-/m1/s1
InChIKeyWKHGLYZTVMQGCE-LLVKDONJSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
3-amino-4-cyclohexylbutan-2-one
CID 20668322
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentanoic acid
CID 19840695
[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174784804
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 138500128
(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide
CID 166777668
2-amino-3-cyclobutylpropanamide
CID 65458295
4-amino-5-cyclobutylpentane-2,3-dione
CID 59655547
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one?
The IUPAC name of (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one (CID 121368311) is (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one.
What is the SMILES notation for (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one?
The canonical SMILES for (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)[C@H](N)CC1CCCCC1.
What is the InChIKey of (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one?
The InChIKey is WKHGLYZTVMQGCE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)12(15)11(14)9-10-7-5-4-6-8-10/h10-11H,4-9,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one?
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one is sourced from PubChem (CID 121368311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).