N-dec-9-ynyl-N-methylhept-6-ynamide

C18H29NO — CID 134884905

IUPACN-dec-9-ynyl-N-methylhept-6-ynamide
SMILESC#CCCCCCCCCN(C)C(=O)CCCCC#C
InChIInChI=1S/C18H29NO/c1-4-6-8-10-11-12-13-15-17-19(3)18(20)16-14-9-7-5-2/h1-2H,6-17H2,3H3
InChIKeyHJLMYIQZPDFWOE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.00
Rot. Bonds12

About N-dec-9-ynyl-N-methylhept-6-ynamide

N-dec-9-ynyl-N-methylhept-6-ynamide (PubChem CID 134884905) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-dec-9-ynyl-N-methylhept-6-ynamide.

Molecular Properties

Compound NameN-dec-9-ynyl-N-methylhept-6-ynamide
PubChem CID134884905
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-dec-9-ynyl-N-methylhept-6-ynamide
SMILESC#CCCCCCCCCN(C)C(=O)CCCCC#C
InChIInChI=1S/C18H29NO/c1-4-6-8-10-11-12-13-15-17-19(3)18(20)16-14-9-7-5-2/h1-2H,6-17H2,3H3
InChIKeyHJLMYIQZPDFWOE-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-dec-9-ynyl-N-methylhept-6-ynamide 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 N-dec-9-ynyl-N-methylhept-6-ynamide?
The IUPAC name of N-dec-9-ynyl-N-methylhept-6-ynamide (CID 134884905) is N-dec-9-ynyl-N-methylhept-6-ynamide.
What is the SMILES notation for N-dec-9-ynyl-N-methylhept-6-ynamide?
The canonical SMILES for N-dec-9-ynyl-N-methylhept-6-ynamide is C#CCCCCCCCCN(C)C(=O)CCCCC#C.
What is the InChIKey of N-dec-9-ynyl-N-methylhept-6-ynamide?
The InChIKey is HJLMYIQZPDFWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-8-10-11-12-13-15-17-19(3)18(20)16-14-9-7-5-2/h1-2H,6-17H2,3H3.
What are the key properties of N-dec-9-ynyl-N-methylhept-6-ynamide?
N-dec-9-ynyl-N-methylhept-6-ynamide has a molecular weight of 275.44 g/mol, XLogP of 4.00, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-9-ynyl-N-methylhept-6-ynamide is sourced from PubChem (CID 134884905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).