3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide

C11H24N2O2 — CID 107842436

IUPAC3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCCCCCO
InChIInChI=1S/C11H24N2O2/c1-11(2,12)9-10(15)13-7-5-3-4-6-8-14/h14H,3-9,12H2,1-2H3,(H,13,15)
InChIKeyPJWGHFJTPIMGBH-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.78
Rot. Bonds8

About 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide

3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide (PubChem CID 107842436) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
PubChem CID107842436
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCCCCCO
InChIInChI=1S/C11H24N2O2/c1-11(2,12)9-10(15)13-7-5-3-4-6-8-14/h14H,3-9,12H2,1-2H3,(H,13,15)
InChIKeyPJWGHFJTPIMGBH-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591
6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid
CID 64677557
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 106840413
N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 103919391
3-amino-3-methyl-N-(3-propoxypropyl)butanamide
CID 82940158
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
3-[(3-amino-3-methylbutanoyl)amino]propyl nitrate
CID 14210777
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide (CID 107842436) is 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide is CC(C)(N)CC(=O)NCCCCCCO.
What is the InChIKey of 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide?
The InChIKey is PJWGHFJTPIMGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,12)9-10(15)13-7-5-3-4-6-8-14/h14H,3-9,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide?
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide is sourced from PubChem (CID 107842436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).