3-amino-N-(5-hydroxypentyl)-4-methylpentanamide

C11H24N2O2 — CID 107317604

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

About 3-amino-N-(5-hydroxypentyl)-4-methylpentanamide

3-amino-N-(5-hydroxypentyl)-4-methylpentanamide (PubChem CID 107317604) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-4-methylpentanamide
PubChem CID107317604
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-N-(5-hydroxypentyl)-4-methylpentanamide
SMILESCC(C)C(N)CC(=O)NCCCCCO
InChIInChI=1S/C11H24N2O2/c1-9(2)10(12)8-11(15)13-6-4-3-5-7-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyYQNUGWIHUVDINJ-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

3-(ethylamino)-N-(5-hydroxypentyl)butanamide
CID 107317725
5-amino-N-(5-hydroxypentyl)hexanamide
CID 107317733
3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
CID 107842492
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide
CID 106841999
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide
CID 159436243
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-4-methylpentanamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-4-methylpentanamide (CID 107317604) is 3-amino-N-(5-hydroxypentyl)-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-4-methylpentanamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-4-methylpentanamide is CC(C)C(N)CC(=O)NCCCCCO.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-4-methylpentanamide?
The InChIKey is YQNUGWIHUVDINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(2)10(12)8-11(15)13-6-4-3-5-7-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-(5-hydroxypentyl)-4-methylpentanamide?
3-amino-N-(5-hydroxypentyl)-4-methylpentanamide 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-(5-hydroxypentyl)-4-methylpentanamide is sourced from PubChem (CID 107317604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).