3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide

C11H24N2O2 — CID 107842431

IUPAC3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCCCCCO
InChIInChI=1S/C11H24N2O2/c1-9(10(2)12)11(15)13-7-5-3-4-6-8-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyZAPZWWALMUCYRN-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.64
Rot. Bonds8

About 3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide

3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide (PubChem CID 107842431) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
PubChem CID107842431
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCCCCCO
InChIInChI=1S/C11H24N2O2/c1-9(10(2)12)11(15)13-7-5-3-4-6-8-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyZAPZWWALMUCYRN-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
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

(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide
CID 120500484
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
CID 106841939
3-amino-N-(5-hydroxypentyl)-4-methylpentanamide
CID 107317604
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
N-(5-hydroxypentyl)-2-methylsulfonylpropanamide
CID 107318586
2-amino-N-(6-hydroxyhexyl)pent-4-enamide
CID 107842505
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
5-amino-N-(5-hydroxypentyl)hexanamide
CID 107317733

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide (CID 107842431) is 3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide is CC(N)C(C)C(=O)NCCCCCCO.
What is the InChIKey of 3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide?
The InChIKey is ZAPZWWALMUCYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(10(2)12)11(15)13-7-5-3-4-6-8-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide?
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.64, 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)-2-methylbutanamide is sourced from PubChem (CID 107842431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).