2-(dec-9-enylamino)-5-methylheptan-4-one

C18H35NO — CID 58705255

IUPAC2-(dec-9-enylamino)-5-methylheptan-4-one
SMILESC=CCCCCCCCCNC(C)CC(=O)C(C)CC
InChIInChI=1S/C18H35NO/c1-5-7-8-9-10-11-12-13-14-19-17(4)15-18(20)16(3)6-2/h5,16-17,19H,1,6-15H2,2-4H3
InChIKeyOMCVSIVAJCVGSQ-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.89
Rot. Bonds14

About 2-(dec-9-enylamino)-5-methylheptan-4-one

2-(dec-9-enylamino)-5-methylheptan-4-one (PubChem CID 58705255) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-(dec-9-enylamino)-5-methylheptan-4-one.

Molecular Properties

Compound Name2-(dec-9-enylamino)-5-methylheptan-4-one
PubChem CID58705255
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-(dec-9-enylamino)-5-methylheptan-4-one
SMILESC=CCCCCCCCCNC(C)CC(=O)C(C)CC
InChIInChI=1S/C18H35NO/c1-5-7-8-9-10-11-12-13-14-19-17(4)15-18(20)16(3)6-2/h5,16-17,19H,1,6-15H2,2-4H3
InChIKeyOMCVSIVAJCVGSQ-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dec-9-enylamino)-5-methylheptan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dec-9-enylamino)-5-methylheptan-4-one?
The IUPAC name of 2-(dec-9-enylamino)-5-methylheptan-4-one (CID 58705255) is 2-(dec-9-enylamino)-5-methylheptan-4-one.
What is the SMILES notation for 2-(dec-9-enylamino)-5-methylheptan-4-one?
The canonical SMILES for 2-(dec-9-enylamino)-5-methylheptan-4-one is C=CCCCCCCCCNC(C)CC(=O)C(C)CC.
What is the InChIKey of 2-(dec-9-enylamino)-5-methylheptan-4-one?
The InChIKey is OMCVSIVAJCVGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-7-8-9-10-11-12-13-14-19-17(4)15-18(20)16(3)6-2/h5,16-17,19H,1,6-15H2,2-4H3.
What are the key properties of 2-(dec-9-enylamino)-5-methylheptan-4-one?
2-(dec-9-enylamino)-5-methylheptan-4-one has a molecular weight of 281.48 g/mol, XLogP of 4.89, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dec-9-enylamino)-5-methylheptan-4-one is sourced from PubChem (CID 58705255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).