3-amino-N-(5-hydroxy-4-methylpentyl)butanamide

C10H22N2O2 — CID 106161336

IUPAC3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
SMILESCC(N)CC(=O)NCCCC(C)CO
InChIInChI=1S/C10H22N2O2/c1-8(7-13)4-3-5-12-10(14)6-9(2)11/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyKPXJCWFIJAFWIE-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds7

About 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide

3-amino-N-(5-hydroxy-4-methylpentyl)butanamide (PubChem CID 106161336) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
PubChem CID106161336
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
SMILESCC(N)CC(=O)NCCCC(C)CO
InChIInChI=1S/C10H22N2O2/c1-8(7-13)4-3-5-12-10(14)6-9(2)11/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyKPXJCWFIJAFWIE-UHFFFAOYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
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-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 106161327
N-(5-hydroxy-4-methylpentyl)pent-4-ynamide
CID 106155721
2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103861792
N-(4-aminopentyl)-3,4,4-trimethylpentanamide
CID 106122483
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106161295
3-amino-N-(2-methylsulfanylethyl)butanamide
CID 63957777
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide?
The IUPAC name of 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide (CID 106161336) is 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide.
What is the SMILES notation for 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide?
The canonical SMILES for 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide is CC(N)CC(=O)NCCCC(C)CO.
What is the InChIKey of 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide?
The InChIKey is KPXJCWFIJAFWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(7-13)4-3-5-12-10(14)6-9(2)11/h8-9,13H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide?
3-amino-N-(5-hydroxy-4-methylpentyl)butanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxy-4-methylpentyl)butanamide is sourced from PubChem (CID 106161336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).