2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide

C13H28N2O2 — CID 114176937

IUPAC2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide
SMILESCCCCC(N)C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-7-10(14)12(17)15-11(8-9-16)13(2,3)4/h10-11,16H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyYRBHTHQYLOIXCX-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.42
Rot. Bonds7

About 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide

2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide (PubChem CID 114176937) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide
PubChem CID114176937
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide
SMILESCCCCC(N)C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-7-10(14)12(17)15-11(8-9-16)13(2,3)4/h10-11,16H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyYRBHTHQYLOIXCX-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106349899
(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 114176965
2-(2-aminohexanoylamino)-3,3-dimethylbutanoic acid
CID 61161199
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
CID 114178195
3-[[(2S)-2-aminohexanoyl]amino]-5,5-dimethylhexanoic acid
CID 107146590
(2S)-2-(2-aminohexanoylamino)-3-methylbutanoic acid
CID 61173844
2,2-dimethylheptan-3-ylcarbamic acid
CID 175434707
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
CID 107145862

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide?
The IUPAC name of 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide (CID 114176937) is 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide is CCCCC(N)C(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide?
The InChIKey is YRBHTHQYLOIXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-7-10(14)12(17)15-11(8-9-16)13(2,3)4/h10-11,16H,5-9,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide?
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide has a molecular weight of 244.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide is sourced from PubChem (CID 114176937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).