N-ethyl-N-methylhept-6-ynamide

C10H17NO — CID 142437748

IUPACN-ethyl-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)CC
InChIInChI=1S/C10H17NO/c1-4-6-7-8-9-10(12)11(3)5-2/h1H,5-9H2,2-3H3
InChIKeyZRYQKBJTTKIMFN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.66
Rot. Bonds5

About N-ethyl-N-methylhept-6-ynamide

N-ethyl-N-methylhept-6-ynamide (PubChem CID 142437748) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-ethyl-N-methylhept-6-ynamide.

Molecular Properties

Compound NameN-ethyl-N-methylhept-6-ynamide
PubChem CID142437748
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-ethyl-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)CC
InChIInChI=1S/C10H17NO/c1-4-6-7-8-9-10(12)11(3)5-2/h1H,5-9H2,2-3H3
InChIKeyZRYQKBJTTKIMFN-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.66
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-ethyl-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-ethyl-N-methylhept-6-ynamide?
The IUPAC name of N-ethyl-N-methylhept-6-ynamide (CID 142437748) is N-ethyl-N-methylhept-6-ynamide.
What is the SMILES notation for N-ethyl-N-methylhept-6-ynamide?
The canonical SMILES for N-ethyl-N-methylhept-6-ynamide is C#CCCCCC(=O)N(C)CC.
What is the InChIKey of N-ethyl-N-methylhept-6-ynamide?
The InChIKey is ZRYQKBJTTKIMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-8-9-10(12)11(3)5-2/h1H,5-9H2,2-3H3.
What are the key properties of N-ethyl-N-methylhept-6-ynamide?
N-ethyl-N-methylhept-6-ynamide has a molecular weight of 167.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylhept-6-ynamide is sourced from PubChem (CID 142437748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).