N-(3-methylpentan-3-yl)hexanamide

C12H25NO — CID 90883485

IUPACN-(3-methylpentan-3-yl)hexanamide
SMILESCCCCCC(=O)NC(C)(CC)CC
InChIInChI=1S/C12H25NO/c1-5-8-9-10-11(14)13-12(4,6-2)7-3/h5-10H2,1-4H3,(H,13,14)
InChIKeyVYQBXQNCUJNOHH-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.26
Rot. Bonds7

About N-(3-methylpentan-3-yl)hexanamide

N-(3-methylpentan-3-yl)hexanamide (PubChem CID 90883485) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)hexanamide.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)hexanamide
PubChem CID90883485
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(3-methylpentan-3-yl)hexanamide
SMILESCCCCCC(=O)NC(C)(CC)CC
InChIInChI=1S/C12H25NO/c1-5-8-9-10-11(14)13-12(4,6-2)7-3/h5-10H2,1-4H3,(H,13,14)
InChIKeyVYQBXQNCUJNOHH-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)hexanamide
CID 114314353
N-(1-bromo-2-methylbutan-2-yl)nonanamide
CID 114314390
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
N-[2-(ethylamino)butan-2-yl]icosanamide
CID 158301838
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(2-cyanobutan-2-yl)heptanamide
CID 115599534
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-(2-methylbut-3-yn-2-yl)dodecanamide
CID 65426604

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)hexanamide?
The IUPAC name of N-(3-methylpentan-3-yl)hexanamide (CID 90883485) is N-(3-methylpentan-3-yl)hexanamide.
What is the SMILES notation for N-(3-methylpentan-3-yl)hexanamide?
The canonical SMILES for N-(3-methylpentan-3-yl)hexanamide is CCCCCC(=O)NC(C)(CC)CC.
What is the InChIKey of N-(3-methylpentan-3-yl)hexanamide?
The InChIKey is VYQBXQNCUJNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-8-9-10-11(14)13-12(4,6-2)7-3/h5-10H2,1-4H3,(H,13,14).
What are the key properties of N-(3-methylpentan-3-yl)hexanamide?
N-(3-methylpentan-3-yl)hexanamide has a molecular weight of 199.34 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)hexanamide is sourced from PubChem (CID 90883485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).