1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine

C13H18N2 — CID 89416234

IUPAC1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine
SMILESC#CC1C=CC(C(C)N(N)C2CC2)=CC1
InChIInChI=1S/C13H18N2/c1-3-11-4-6-12(7-5-11)10(2)15(14)13-8-9-13/h1,4,6-7,10-11,13H,5,8-9,14H2,2H3
InChIKeyZCNVTHWRWJTEQC-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.85
Rot. Bonds3

About 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine

1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine (PubChem CID 89416234) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine.

Molecular Properties

Compound Name1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine
PubChem CID89416234
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine
SMILESC#CC1C=CC(C(C)N(N)C2CC2)=CC1
InChIInChI=1S/C13H18N2/c1-3-11-4-6-12(7-5-11)10(2)15(14)13-8-9-13/h1,4,6-7,10-11,13H,5,8-9,14H2,2H3
InChIKeyZCNVTHWRWJTEQC-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine?
The IUPAC name of 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine (CID 89416234) is 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine.
What is the SMILES notation for 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine?
The canonical SMILES for 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine is C#CC1C=CC(C(C)N(N)C2CC2)=CC1.
What is the InChIKey of 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine?
The InChIKey is ZCNVTHWRWJTEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-11-4-6-12(7-5-11)10(2)15(14)13-8-9-13/h1,4,6-7,10-11,13H,5,8-9,14H2,2H3.
What are the key properties of 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine?
1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine has a molecular weight of 202.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine is sourced from PubChem (CID 89416234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).