1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine

C11H20N2 — CID 107193222

IUPAC1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1CCCC1(C)C
InChIInChI=1S/C11H20N2/c1-4-6-10(13-12)9-7-5-8-11(9,2)3/h1,9-10,13H,5-8,12H2,2-3H3
InChIKeyNGSWXEFHLNBQLT-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.67
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine

1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine (PubChem CID 107193222) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine
PubChem CID107193222
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1CCCC1(C)C
InChIInChI=1S/C11H20N2/c1-4-6-10(13-12)9-7-5-8-11(9,2)3/h1,9-10,13H,5-8,12H2,2-3H3
InChIKeyNGSWXEFHLNBQLT-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine with MolForge

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

Launch Full Analysis

Related Compounds

[1-(2,2-dimethylcyclopentyl)-2-ethoxyethyl]hydrazine
CID 107194346
[2-cyclobutyl-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107194022
[1-(2,2-dimethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107193532
[1-(2,2-dimethylcyclopentyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107193293
1-(2,2-dimethylcyclohexyl)decylhydrazine
CID 107193551
[cyclopropyl-(2,2-dimethylcyclopentyl)methyl]hydrazine
CID 107194152
[1-(2,2-dimethylcyclopentyl)-2-naphthalen-1-ylethyl]hydrazine
CID 107193580
1-(2,2-dimethylcyclopentyl)-N-ethylpropan-1-amine
CID 79863310
1-(2,2-dimethylcyclopropyl)hex-5-ynylhydrazine
CID 107005834
[1-(2,2-dimethylcyclopentyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107194392
[1-(2,2-dimethylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
CID 107193485
1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine
CID 107187759

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine (CID 107193222) is 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine is C#CCC(NN)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine?
The InChIKey is NGSWXEFHLNBQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-10(13-12)9-7-5-8-11(9,2)3/h1,9-10,13H,5-8,12H2,2-3H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine?
1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine has a molecular weight of 180.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)but-3-ynylhydrazine is sourced from PubChem (CID 107193222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).