N-(2,4-dimethylpent-1-en-3-yl)nonanamide

C16H31NO — CID 126715121

IUPACN-(2,4-dimethylpent-1-en-3-yl)nonanamide
SMILESC=C(C)C(NC(=O)CCCCCCCC)C(C)C
InChIInChI=1S/C16H31NO/c1-6-7-8-9-10-11-12-15(18)17-16(13(2)3)14(4)5/h14,16H,2,6-12H2,1,3-5H3,(H,17,18)
InChIKeyXOKUTYVCJYLZKG-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.45
Rot. Bonds10

About N-(2,4-dimethylpent-1-en-3-yl)nonanamide

N-(2,4-dimethylpent-1-en-3-yl)nonanamide (PubChem CID 126715121) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(2,4-dimethylpent-1-en-3-yl)nonanamide.

Molecular Properties

Compound NameN-(2,4-dimethylpent-1-en-3-yl)nonanamide
PubChem CID126715121
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(2,4-dimethylpent-1-en-3-yl)nonanamide
SMILESC=C(C)C(NC(=O)CCCCCCCC)C(C)C
InChIInChI=1S/C16H31NO/c1-6-7-8-9-10-11-12-15(18)17-16(13(2)3)14(4)5/h14,16H,2,6-12H2,1,3-5H3,(H,17,18)
InChIKeyXOKUTYVCJYLZKG-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.45
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpent-1-en-3-yl)nonanamide?
The IUPAC name of N-(2,4-dimethylpent-1-en-3-yl)nonanamide (CID 126715121) is N-(2,4-dimethylpent-1-en-3-yl)nonanamide.
What is the SMILES notation for N-(2,4-dimethylpent-1-en-3-yl)nonanamide?
The canonical SMILES for N-(2,4-dimethylpent-1-en-3-yl)nonanamide is C=C(C)C(NC(=O)CCCCCCCC)C(C)C.
What is the InChIKey of N-(2,4-dimethylpent-1-en-3-yl)nonanamide?
The InChIKey is XOKUTYVCJYLZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-7-8-9-10-11-12-15(18)17-16(13(2)3)14(4)5/h14,16H,2,6-12H2,1,3-5H3,(H,17,18).
What are the key properties of N-(2,4-dimethylpent-1-en-3-yl)nonanamide?
N-(2,4-dimethylpent-1-en-3-yl)nonanamide has a molecular weight of 253.43 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpent-1-en-3-yl)nonanamide is sourced from PubChem (CID 126715121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).