2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide

C13H23N3O — CID 57305398

IUPAC2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide
SMILESCCN(CC=CC#CC(C)(C)C)CC(=O)NN
InChIInChI=1S/C13H23N3O/c1-5-16(11-12(17)15-14)10-8-6-7-9-13(2,3)4/h6,8H,5,10-11,14H2,1-4H3,(H,15,17)
InChIKeyDYDDNEKSNNWKPY-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.90
Rot. Bonds5

About 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide

2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide (PubChem CID 57305398) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide.

Molecular Properties

Compound Name2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide
PubChem CID57305398
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide
SMILESCCN(CC=CC#CC(C)(C)C)CC(=O)NN
InChIInChI=1S/C13H23N3O/c1-5-16(11-12(17)15-14)10-8-6-7-9-13(2,3)4/h6,8H,5,10-11,14H2,1-4H3,(H,15,17)
InChIKeyDYDDNEKSNNWKPY-UHFFFAOYSA-N
XLogP0.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide?
The IUPAC name of 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide (CID 57305398) is 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide.
What is the SMILES notation for 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide?
The canonical SMILES for 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide is CCN(CC=CC#CC(C)(C)C)CC(=O)NN.
What is the InChIKey of 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide?
The InChIKey is DYDDNEKSNNWKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-16(11-12(17)15-14)10-8-6-7-9-13(2,3)4/h6,8H,5,10-11,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide?
2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide has a molecular weight of 237.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]acetohydrazide is sourced from PubChem (CID 57305398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).