(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide

C12H24N2O — CID 61149042

IUPAC(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(2)11(13)12(15)14(3)10-7-5-4-6-8-10/h9-11H,4-8,13H2,1-3H3/t11-/m0/s1
InChIKeyCFRNBNUWGNIDCI-NSHDSACASA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds3

About (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide

(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide (PubChem CID 61149042) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
PubChem CID61149042
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(2)11(13)12(15)14(3)10-7-5-4-6-8-10/h9-11H,4-8,13H2,1-3H3/t11-/m0/s1
InChIKeyCFRNBNUWGNIDCI-NSHDSACASA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide
CID 59011420
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 79012366
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 61163036
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
N-cyclohexyl-N,3-dimethyl-2-sulfanylbutanamide
CID 107020891
(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102631964
2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
CID 56831854
2-bromo-N-cyclohexyl-N-methylpropanamide
CID 82110244
(2R)-2-amino-N,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 82738595
2-bromo-N-cyclopentyl-N,3-dimethylbutanamide
CID 43267096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide (CID 61149042) is (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide is CC(C)[C@H](N)C(=O)N(C)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide?
The InChIKey is CFRNBNUWGNIDCI-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)11(13)12(15)14(3)10-7-5-4-6-8-10/h9-11H,4-8,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide?
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide is sourced from PubChem (CID 61149042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).