(1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene

C9H19N3 — CID 139504054

IUPAC(1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene
SMILESNNNC/C1=C/CCCCCC1
InChIInChI=1S/C9H19N3/c10-12-11-8-9-6-4-2-1-3-5-7-9/h6,11-12H,1-5,7-8,10H2/b9-6+
InChIKeyMDGDBUATECOGCB-RMKNXTFCSA-N
MW169.27 g/mol
LogP1.23
Rot. Bonds3

About (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene

(1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene (PubChem CID 139504054) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene.

Molecular Properties

Compound Name(1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene
PubChem CID139504054
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene
SMILESNNNC/C1=C/CCCCCC1
InChIInChI=1S/C9H19N3/c10-12-11-8-9-6-4-2-1-3-5-7-9/h6,11-12H,1-5,7-8,10H2/b9-6+
InChIKeyMDGDBUATECOGCB-RMKNXTFCSA-N
XLogP1.23
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene?
The IUPAC name of (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene (CID 139504054) is (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene.
What is the SMILES notation for (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene?
The canonical SMILES for (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene is NNNC/C1=C/CCCCCC1.
What is the InChIKey of (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene?
The InChIKey is MDGDBUATECOGCB-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H19N3/c10-12-11-8-9-6-4-2-1-3-5-7-9/h6,11-12H,1-5,7-8,10H2/b9-6+.
What are the key properties of (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene?
(1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene has a molecular weight of 169.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(2-aminohydrazinyl)methyl]cyclooctene is sourced from PubChem (CID 139504054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).