N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide

C15H31NO — CID 59197749

IUPACN-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C15H31NO/c1-14(2,3)10-7-8-12-16-13(17)9-11-15(4,5)6/h7-12H2,1-6H3,(H,16,17)
InChIKeyZCUUBOHXWLMYBN-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.15
Rot. Bonds6

About N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide

N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide (PubChem CID 59197749) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
PubChem CID59197749
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C15H31NO/c1-14(2,3)10-7-8-12-16-13(17)9-11-15(4,5)6/h7-12H2,1-6H3,(H,16,17)
InChIKeyZCUUBOHXWLMYBN-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.15
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)-6,6-dimethylheptanamide
CID 155613162
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
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
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
CID 119775744
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
N'-(7,7-dimethyloctyl)-12-oxo-N-propan-2-ylpentacosanediamide
CID 163866236
tert-butyl 13-(4,4-dimethylpentanoylamino)-8-oxotridecanoate
CID 149247722

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide?
The IUPAC name of N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide (CID 59197749) is N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide is CC(C)(C)CCCCNC(=O)CCC(C)(C)C.
What is the InChIKey of N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide?
The InChIKey is ZCUUBOHXWLMYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2,3)10-7-8-12-16-13(17)9-11-15(4,5)6/h7-12H2,1-6H3,(H,16,17).
What are the key properties of N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide?
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide has a molecular weight of 241.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 59197749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).