3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide

C13H26N2O2 — CID 65267153

IUPAC3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NC1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-12(2,13(3,4)14)11(17)15-9-7-5-6-8-10(9)16/h9-10,16H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyHPMJEDJWIVVODV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds3

About 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide

3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide (PubChem CID 65267153) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
PubChem CID65267153
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NC1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-12(2,13(3,4)14)11(17)15-9-7-5-6-8-10(9)16/h9-10,16H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyHPMJEDJWIVVODV-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpentanamide
CID 107222009
3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide
CID 64677641
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 107216789
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
2-(ethylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 94878499
2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 40538955
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 107222046
3-amino-2,2,3-trimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 65264411

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide (CID 65267153) is 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NC1CCCCC1O.
What is the InChIKey of 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide?
The InChIKey is HPMJEDJWIVVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,13(3,4)14)11(17)15-9-7-5-6-8-10(9)16/h9-10,16H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65267153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).