1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine

C13H22N2 — CID 105266785

IUPAC1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1CC2CCC1C2
InChIInChI=1S/C13H22N2/c1-2-3-4-5-13(15-14)12-9-10-6-7-11(12)8-10/h10-13,15H,4-9,14H2,1H3
InChIKeyWEAVUYBODXBMKA-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.06
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine

1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine (PubChem CID 105266785) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine
PubChem CID105266785
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1CC2CCC1C2
InChIInChI=1S/C13H22N2/c1-2-3-4-5-13(15-14)12-9-10-6-7-11(12)8-10/h10-13,15H,4-9,14H2,1H3
InChIKeyWEAVUYBODXBMKA-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.06
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'}

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentyl]hydrazine
CID 105266865
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 114192236
1-(6-bicyclo[3.1.0]hexanyl)hex-4-ynylhydrazine
CID 105335051
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-amine
CID 105037583
[1-(2-bicyclo[2.2.1]heptanyl)-2-phenylethyl]hydrazine
CID 105266574
[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413002
[1-(2-bicyclo[2.2.1]heptanyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105266614
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-one
CID 115801619
2-cyclopropyloct-6-yn-3-ylhydrazine
CID 105334946
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
CID 105334973
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine (CID 105266785) is 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine is CC#CCCC(NN)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine?
The InChIKey is WEAVUYBODXBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-4-5-13(15-14)12-9-10-6-7-11(12)8-10/h10-13,15H,4-9,14H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine?
1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine has a molecular weight of 206.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine is sourced from PubChem (CID 105266785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).