(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide

C12H25N3O — CID 96553420

IUPAC(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C
InChIInChI=1S/C12H25N3O/c1-9(13)12(16)15(4)11-8-6-5-7-10(11)14(2)3/h9-11H,5-8,13H2,1-4H3/t9-,10-,11+/m0/s1
InChIKeyBUTQYGAROIBXNU-GARJFASQSA-N
MW227.35 g/mol
LogP0.66
Rot. Bonds3

About (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide

(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide (PubChem CID 96553420) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide
PubChem CID96553420
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C
InChIInChI=1S/C12H25N3O/c1-9(13)12(16)15(4)11-8-6-5-7-10(11)14(2)3/h9-11H,5-8,13H2,1-4H3/t9-,10-,11+/m0/s1
InChIKeyBUTQYGAROIBXNU-GARJFASQSA-N
XLogP0.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]propanamide
CID 96553456
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102631964
(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
CID 119328237
1-[[(1S,2S)-2-(dimethylamino)cyclohexyl]-methylamino]-3-methylbutan-2-one
CID 171418639
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide
CID 104520757
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide
CID 68552101
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
CID 96554576
N-(2-aminocyclohexyl)-N,2-dimethylpentanamide
CID 102639190
(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide
CID 99850045
2-methoxy-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112685758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide (CID 96553420) is (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide is C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C.
What is the InChIKey of (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide?
The InChIKey is BUTQYGAROIBXNU-GARJFASQSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(13)12(16)15(4)11-8-6-5-7-10(11)14(2)3/h9-11H,5-8,13H2,1-4H3/t9-,10-,11+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide?
(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide is sourced from PubChem (CID 96553420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).