1-(1-phenylcyclobutyl)hex-5-ynylhydrazine

C16H22N2 — CID 105217339

IUPAC1-(1-phenylcyclobutyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H22N2/c1-2-3-5-11-15(18-17)16(12-8-13-16)14-9-6-4-7-10-14/h1,4,6-7,9-10,15,18H,3,5,8,11-13,17H2
InChIKeyTZYAGEFEZWPTLR-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.74
Rot. Bonds6

About 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine

1-(1-phenylcyclobutyl)hex-5-ynylhydrazine (PubChem CID 105217339) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(1-phenylcyclobutyl)hex-5-ynylhydrazine
PubChem CID105217339
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(1-phenylcyclobutyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H22N2/c1-2-3-5-11-15(18-17)16(12-8-13-16)14-9-6-4-7-10-14/h1,4,6-7,9-10,15,18H,3,5,8,11-13,17H2
InChIKeyTZYAGEFEZWPTLR-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

1-(1-phenylcyclopropyl)pent-4-ynylhydrazine
CID 105217111
[4-methyl-1-(1-phenylcyclobutyl)pentyl]hydrazine
CID 105217243
[5-methyl-1-(1-phenylcyclopentyl)hexyl]hydrazine
CID 105217526
[4,4-dimethyl-1-(1-phenylcyclohexyl)pentyl]hydrazine
CID 105217567
1-(1-phenylcyclopentyl)pent-4-yn-1-ol
CID 63657672
[3-methyl-1-(1-phenylcyclobutyl)pentyl]hydrazine
CID 105217376
[4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine
CID 105217641
1-(1-phenylcyclopentyl)but-3-enylhydrazine
CID 105217493
[3-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)propyl]hydrazine
CID 103026722
[3-methyl-1-(1-phenylcyclopropyl)butyl]hydrazine
CID 105217001
[3-ethyl-1-(1-phenylcyclopentyl)pentyl]hydrazine
CID 105217522
3-[2-hydrazinyl-2-(1-phenylcyclobutyl)ethyl]pyridin-2-amine
CID 105217402

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine?
The IUPAC name of 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine (CID 105217339) is 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine is C#CCCCC(NN)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine?
The InChIKey is TZYAGEFEZWPTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-3-5-11-15(18-17)16(12-8-13-16)14-9-6-4-7-10-14/h1,4,6-7,9-10,15,18H,3,5,8,11-13,17H2.
What are the key properties of 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine?
1-(1-phenylcyclobutyl)hex-5-ynylhydrazine has a molecular weight of 242.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclobutyl)hex-5-ynylhydrazine is sourced from PubChem (CID 105217339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).