(2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one

C14H25N3O — CID 59834188

IUPAC(2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)N[C@H](Cc1cnc[nH]1)C(=O)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-13(2,3)12(18)11(17-14(4,5)6)7-10-8-15-9-16-10/h8-9,11,17H,7H2,1-6H3,(H,15,16)/t11-/m1/s1
InChIKeyPERFLQVOAJJRIH-LLVKDONJSA-N
MW251.37 g/mol
LogP2.32
Rot. Bonds4

About (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one

(2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one (PubChem CID 59834188) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one
PubChem CID59834188
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)N[C@H](Cc1cnc[nH]1)C(=O)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-13(2,3)12(18)11(17-14(4,5)6)7-10-8-15-9-16-10/h8-9,11,17H,7H2,1-6H3,(H,15,16)/t11-/m1/s1
InChIKeyPERFLQVOAJJRIH-LLVKDONJSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one
CID 122629693
4-(1H-imidazol-5-ylmethyl)-2,2-dimethylhexan-3-one
CID 59395904
methyl (2S)-2-(tert-butylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876554
1-[(2S)-1-[(2S)-2-(tert-butylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 167151026
methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
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(2S)-2-(tert-butylamino)-N-[(2S)-3-(1H-imidazol-5-yl)-1-(methylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 134250516
4-(1H-imidazol-5-yl)-3-(iodoamino)butan-2-one
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CID 178181329
(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
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[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 19939260
(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
CID 18651854
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one?
The IUPAC name of (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one (CID 59834188) is (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one?
The canonical SMILES for (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one is CC(C)(C)N[C@H](Cc1cnc[nH]1)C(=O)C(C)(C)C.
What is the InChIKey of (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one?
The InChIKey is PERFLQVOAJJRIH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13(2,3)12(18)11(17-14(4,5)6)7-10-8-15-9-16-10/h8-9,11,17H,7H2,1-6H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one?
(2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one has a molecular weight of 251.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 59834188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).