2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone

C13H25NO — CID 116588854

IUPAC2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-10-6-5-7-11(8-10)12(15)9-14-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeySTICTUBFAWDTBD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.77
Rot. Bonds3

About 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone

2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone (PubChem CID 116588854) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone
PubChem CID116588854
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-10-6-5-7-11(8-10)12(15)9-14-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeySTICTUBFAWDTBD-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclohexyl)-2-(propylamino)ethanone
CID 116562801
2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one
CID 116566074
2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396
2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-one
CID 114976304
2-(tert-butylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide
CID 78966290
4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one
CID 103035308
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one
CID 116600016
2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409366
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
2-(1-aminocyclopentyl)-1-(3-methylcyclohexyl)ethanone
CID 116578687

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone (CID 116588854) is 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone is CC1CCCC(C(=O)CNC(C)(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone?
The InChIKey is STICTUBFAWDTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-6-5-7-11(8-10)12(15)9-14-13(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone?
2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone has a molecular weight of 211.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone is sourced from PubChem (CID 116588854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).