N-butyl-2,2,5-trimethylhexanamide

C13H27NO — CID 145422242

IUPACN-butyl-2,2,5-trimethylhexanamide
SMILESCCCCNC(=O)C(C)(C)CCC(C)C
InChIInChI=1S/C13H27NO/c1-6-7-10-14-12(15)13(4,5)9-8-11(2)3/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyMEUFXCNIBUVCCM-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.37
Rot. Bonds7

About N-butyl-2,2,5-trimethylhexanamide

N-butyl-2,2,5-trimethylhexanamide (PubChem CID 145422242) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-butyl-2,2,5-trimethylhexanamide.

Molecular Properties

Compound NameN-butyl-2,2,5-trimethylhexanamide
PubChem CID145422242
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-butyl-2,2,5-trimethylhexanamide
SMILESCCCCNC(=O)C(C)(C)CCC(C)C
InChIInChI=1S/C13H27NO/c1-6-7-10-14-12(15)13(4,5)9-8-11(2)3/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyMEUFXCNIBUVCCM-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.37
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-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
N-butyl-4-[3,3-dimethylbutanoyl(3-methylbutyl)amino]-2,2,4-trimethylpentanamide
CID 121263966
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
CID 162756252
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
2-cyano-2-methyl-N-(4-methylpentyl)butanamide
CID 114291478
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
N-ethyl-2,2-dimethylheptanamide
CID 168939290
[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl] N-butylcarbamate
CID 21128467
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
CID 168959673

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,5-trimethylhexanamide?
The IUPAC name of N-butyl-2,2,5-trimethylhexanamide (CID 145422242) is N-butyl-2,2,5-trimethylhexanamide.
What is the SMILES notation for N-butyl-2,2,5-trimethylhexanamide?
The canonical SMILES for N-butyl-2,2,5-trimethylhexanamide is CCCCNC(=O)C(C)(C)CCC(C)C.
What is the InChIKey of N-butyl-2,2,5-trimethylhexanamide?
The InChIKey is MEUFXCNIBUVCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-10-14-12(15)13(4,5)9-8-11(2)3/h11H,6-10H2,1-5H3,(H,14,15).
What are the key properties of N-butyl-2,2,5-trimethylhexanamide?
N-butyl-2,2,5-trimethylhexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,5-trimethylhexanamide is sourced from PubChem (CID 145422242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).