N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide

C16H31NO — CID 20617168

IUPACN-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide
SMILESCC(C)(C)/C=C/CNC(=O)CCCCC(C)(C)C
InChIInChI=1S/C16H31NO/c1-15(2,3)11-8-7-10-14(18)17-13-9-12-16(4,5)6/h9,12H,7-8,10-11,13H2,1-6H3,(H,17,18)/b12-9+
InChIKeyZJJXUWCGFYSRAU-FMIVXFBMSA-N
MW253.43 g/mol
LogP4.31
Rot. Bonds6

About N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide

N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide (PubChem CID 20617168) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide.

Molecular Properties

Compound NameN-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide
PubChem CID20617168
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide
SMILESCC(C)(C)/C=C/CNC(=O)CCCCC(C)(C)C
InChIInChI=1S/C16H31NO/c1-15(2,3)11-8-7-10-14(18)17-13-9-12-16(4,5)6/h9,12H,7-8,10-11,13H2,1-6H3,(H,17,18)/b12-9+
InChIKeyZJJXUWCGFYSRAU-FMIVXFBMSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-butyl-10,10-dimethylundecanamide
CID 19922141
N-ethyl-5,5-dimethylhexanamide
CID 121264886
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
7,7-dimethyl-N-phenyloctanamide
CID 68837139
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
N-(4,4-dimethylpentyl)-6-oxohexanamide
CID 171520123
N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
CID 165080443
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide?
The IUPAC name of N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide (CID 20617168) is N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide.
What is the SMILES notation for N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide?
The canonical SMILES for N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide is CC(C)(C)/C=C/CNC(=O)CCCCC(C)(C)C.
What is the InChIKey of N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide?
The InChIKey is ZJJXUWCGFYSRAU-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)11-8-7-10-14(18)17-13-9-12-16(4,5)6/h9,12H,7-8,10-11,13H2,1-6H3,(H,17,18)/b12-9+.
What are the key properties of N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide?
N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide has a molecular weight of 253.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,4-dimethylpent-2-enyl]-6,6-dimethylheptanamide is sourced from PubChem (CID 20617168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).