(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride

C12H25ClN2O — CID 119328237

IUPAC(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(C)C1CCC(C)(C)CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(13)11(15)14(4)10-5-7-12(2,3)8-6-10;/h9-10H,5-8,13H2,1-4H3;1H/t9-;/m0./s1
InChIKeyIJFNDVCWWPCRGN-FVGYRXGTSA-N
MW248.80 g/mol
LogP2.18
Rot. Bonds2

About (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride

(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride (PubChem CID 119328237) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
PubChem CID119328237
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(C)C1CCC(C)(C)CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(13)11(15)14(4)10-5-7-12(2,3)8-6-10;/h9-10H,5-8,13H2,1-4H3;1H/t9-;/m0./s1
InChIKeyIJFNDVCWWPCRGN-FVGYRXGTSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride
CID 130763017
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
CID 130626855
2-amino-N-(4,4-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312536
1-(4,4-dimethylcyclohexyl)-1-methyl-3-propan-2-ylurea
CID 115686583
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide
CID 96553420
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride (CID 119328237) is (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride is C[C@H](N)C(=O)N(C)C1CCC(C)(C)CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride?
The InChIKey is IJFNDVCWWPCRGN-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(13)11(15)14(4)10-5-7-12(2,3)8-6-10;/h9-10H,5-8,13H2,1-4H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride?
(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119328237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).