N-(4,7-dimethylnon-6-en-4-yl)butanamide

C15H29NO — CID 123181228

IUPACN-(4,7-dimethylnon-6-en-4-yl)butanamide
SMILESCCCC(=O)NC(C)(CC=C(C)CC)CCC
InChIInChI=1S/C15H29NO/c1-6-9-14(17)16-15(5,11-7-2)12-10-13(4)8-3/h10H,6-9,11-12H2,1-5H3,(H,16,17)
InChIKeyBEKBMTBVWNEVPA-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.21
Rot. Bonds8

About N-(4,7-dimethylnon-6-en-4-yl)butanamide

N-(4,7-dimethylnon-6-en-4-yl)butanamide (PubChem CID 123181228) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(4,7-dimethylnon-6-en-4-yl)butanamide.

Molecular Properties

Compound NameN-(4,7-dimethylnon-6-en-4-yl)butanamide
PubChem CID123181228
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(4,7-dimethylnon-6-en-4-yl)butanamide
SMILESCCCC(=O)NC(C)(CC=C(C)CC)CCC
InChIInChI=1S/C15H29NO/c1-6-9-14(17)16-15(5,11-7-2)12-10-13(4)8-3/h10H,6-9,11-12H2,1-5H3,(H,16,17)
InChIKeyBEKBMTBVWNEVPA-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethylnon-6-en-4-yl)butanamide?
The IUPAC name of N-(4,7-dimethylnon-6-en-4-yl)butanamide (CID 123181228) is N-(4,7-dimethylnon-6-en-4-yl)butanamide.
What is the SMILES notation for N-(4,7-dimethylnon-6-en-4-yl)butanamide?
The canonical SMILES for N-(4,7-dimethylnon-6-en-4-yl)butanamide is CCCC(=O)NC(C)(CC=C(C)CC)CCC.
What is the InChIKey of N-(4,7-dimethylnon-6-en-4-yl)butanamide?
The InChIKey is BEKBMTBVWNEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-9-14(17)16-15(5,11-7-2)12-10-13(4)8-3/h10H,6-9,11-12H2,1-5H3,(H,16,17).
What are the key properties of N-(4,7-dimethylnon-6-en-4-yl)butanamide?
N-(4,7-dimethylnon-6-en-4-yl)butanamide has a molecular weight of 239.40 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethylnon-6-en-4-yl)butanamide is sourced from PubChem (CID 123181228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).