6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide

C13H28N2O2 — CID 79250281

IUPAC6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C13H28N2O2/c1-10(2)11(9-16)15-12(17)5-6-13(3,4)7-8-14/h10-11,16H,5-9,14H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyIIXHQSCFQSJVFV-LLVKDONJSA-N
MW244.38 g/mol
LogP1.27
Rot. Bonds8

About 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide

6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide (PubChem CID 79250281) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide
PubChem CID79250281
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C13H28N2O2/c1-10(2)11(9-16)15-12(17)5-6-13(3,4)7-8-14/h10-11,16H,5-9,14H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyIIXHQSCFQSJVFV-LLVKDONJSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
4,4,4-trifluoro-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79252390
6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107222403
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107221314
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
6-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4,4-dimethylhexanamide
CID 106350089
methyl (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoate
CID 65290947
3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79248825
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79250532
(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
CID 79005179
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 79249834
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide (CID 79250281) is 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide is CC(C)[C@@H](CO)NC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide?
The InChIKey is IIXHQSCFQSJVFV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)11(9-16)15-12(17)5-6-13(3,4)7-8-14/h10-11,16H,5-9,14H2,1-4H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide?
6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide has a molecular weight of 244.38 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide is sourced from PubChem (CID 79250281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).