(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one

C13H25NO — CID 138462216

IUPAC(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one
SMILESC[C@H](NC(C)(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h10-11,14H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyUDCKMKGCMKBLRT-JTQLQIEISA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds3

About (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one

(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one (PubChem CID 138462216) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one
PubChem CID138462216
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one
SMILESC[C@H](NC(C)(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h10-11,14H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyUDCKMKGCMKBLRT-JTQLQIEISA-N
XLogP2.91
TPSA29.10 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396
N-tert-butylcyclooctanecarboxamide
CID 65022804
1-cyclohexyl-2,2,3-trimethylbutan-1-one
CID 142560309
N-(2,3-dimethylbutan-2-yl)cyclohexanecarboxamide
CID 126636140
N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine
CID 58459053
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene
CID 143362777
3-cyclohexyl-2-methyl-3-oxopropanal;ethane
CID 145129838
1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923569
2,2-dichloro-1-cycloheptylethanone
CID 45081064
1-cyclohexyl-2,2-bis(sulfanyl)ethanone
CID 87477865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one?
The IUPAC name of (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one (CID 138462216) is (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one.
What is the SMILES notation for (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one?
The canonical SMILES for (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one is C[C@H](NC(C)(C)C)C(=O)C1CCCCC1.
What is the InChIKey of (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one?
The InChIKey is UDCKMKGCMKBLRT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h10-11,14H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one?
(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one is sourced from PubChem (CID 138462216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).