3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide

C11H22N2O2 — CID 94415384

IUPAC3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H22N2O2/c1-11(2,7-12)10(15)13-8-5-3-4-6-9(8)14/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyFISFKXGTJDYTDY-IUCAKERBSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds3

About 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide

3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide (PubChem CID 94415384) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
PubChem CID94415384
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H22N2O2/c1-11(2,7-12)10(15)13-8-5-3-4-6-9(8)14/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyFISFKXGTJDYTDY-IUCAKERBSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 107216789
3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
CID 65267153
2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpentanamide
CID 107222009
2-(ethylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 94878499
3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide
CID 64677641
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
CID 107472961
2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide
CID 113394780
2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 40538955
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide
CID 76941448

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide (CID 94415384) is 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide is CC(C)(CN)C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide?
The InChIKey is FISFKXGTJDYTDY-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,7-12)10(15)13-8-5-3-4-6-9(8)14/h8-9,14H,3-7,12H2,1-2H3,(H,13,15)/t8-,9-/m0/s1.
What are the key properties of 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide?
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 94415384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).