2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide

C12H26N2O2 — CID 106161327

IUPAC2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
SMILESCC(CO)CCCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(8-15)6-5-7-14-11(16)10(13)12(2,3)4/h9-10,15H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyJEUWHEJRBNFLMR-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.88
Rot. Bonds6

About 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide

2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide (PubChem CID 106161327) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
PubChem CID106161327
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
SMILESCC(CO)CCCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(8-15)6-5-7-14-11(16)10(13)12(2,3)4/h9-10,15H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyJEUWHEJRBNFLMR-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.88
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-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
CID 106161336
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103861792
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
CID 113340854
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
CID 103929425
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide (CID 106161327) is 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide is CC(CO)CCCNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
The InChIKey is JEUWHEJRBNFLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(8-15)6-5-7-14-11(16)10(13)12(2,3)4/h9-10,15H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 106161327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).