N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide

C17H35NO — CID 155613162

IUPACN-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
SMILESCC(C)(C)CCCCNC(=O)CCCCC(C)(C)C
InChIInChI=1S/C17H35NO/c1-16(2,3)12-8-7-11-15(19)18-14-10-9-13-17(4,5)6/h7-14H2,1-6H3,(H,18,19)
InChIKeyFLOWYXFKPXJQLP-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.93
Rot. Bonds8

About N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide

N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide (PubChem CID 155613162) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
PubChem CID155613162
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
SMILESCC(C)(C)CCCCNC(=O)CCCCC(C)(C)C
InChIInChI=1S/C17H35NO/c1-16(2,3)12-8-7-11-15(19)18-14-10-9-13-17(4,5)6/h7-14H2,1-6H3,(H,18,19)
InChIKeyFLOWYXFKPXJQLP-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.93
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-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
N-butyl-10,10-dimethylundecanamide
CID 19922141
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
N-(4,4-dimethylpentyl)-6-oxohexanamide
CID 171520123
N'-(7,7-dimethyloctyl)-12-oxo-N-propan-2-ylpentacosanediamide
CID 163866236
8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide
CID 91426047
1-aminopropan-2-ol;6-(6,6-dimethylheptanoylamino)hexanoic acid
CID 138402047
ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen
CID 166490079
N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
CID 165080443

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide?
The IUPAC name of N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide (CID 155613162) is N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide.
What is the SMILES notation for N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide?
The canonical SMILES for N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide is CC(C)(C)CCCCNC(=O)CCCCC(C)(C)C.
What is the InChIKey of N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide?
The InChIKey is FLOWYXFKPXJQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-16(2,3)12-8-7-11-15(19)18-14-10-9-13-17(4,5)6/h7-14H2,1-6H3,(H,18,19).
What are the key properties of N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide?
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide has a molecular weight of 269.47 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide is sourced from PubChem (CID 155613162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).