N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide

C12H25NO2 — CID 107202384

IUPACN-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CCCCCO
InChIInChI=1S/C12H25NO2/c1-5-12(2,3)11(15)13(4)9-7-6-8-10-14/h14H,5-10H2,1-4H3
InChIKeyHWHVUSGVHSQEII-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.04
Rot. Bonds7

About N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide

N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide (PubChem CID 107202384) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
PubChem CID107202384
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)CCCCCO
InChIInChI=1S/C12H25NO2/c1-5-12(2,3)11(15)13(4)9-7-6-8-10-14/h14H,5-10H2,1-4H3
InChIKeyHWHVUSGVHSQEII-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide
CID 107199534
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292
N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
CID 20588097
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107199146
N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
CID 174259846
N-(methoxymethyl)-N,2,2-trimethylbutanamide
CID 58226288
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide?
The IUPAC name of N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide (CID 107202384) is N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide?
The InChIKey is HWHVUSGVHSQEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(2,3)11(15)13(4)9-7-6-8-10-14/h14H,5-10H2,1-4H3.
What are the key properties of N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide?
N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 107202384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).