4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene

C8H17N3 — CID 121451421

IUPAC4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene
SMILESCC1C=CCCC1CNNN
InChIInChI=1S/C8H17N3/c1-7-4-2-3-5-8(7)6-10-11-9/h2,4,7-8,10-11H,3,5-6,9H2,1H3
InChIKeyFHWLQBYSQSEXMQ-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.56
Rot. Bonds3

About 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene

4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene (PubChem CID 121451421) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene.

Molecular Properties

Compound Name4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene
PubChem CID121451421
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene
SMILESCC1C=CCCC1CNNN
InChIInChI=1S/C8H17N3/c1-7-4-2-3-5-8(7)6-10-11-9/h2,4,7-8,10-11H,3,5-6,9H2,1H3
InChIKeyFHWLQBYSQSEXMQ-UHFFFAOYSA-N
XLogP0.56
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.56
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 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene?
The IUPAC name of 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene (CID 121451421) is 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene.
What is the SMILES notation for 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene?
The canonical SMILES for 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene is CC1C=CCCC1CNNN.
What is the InChIKey of 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene?
The InChIKey is FHWLQBYSQSEXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7-4-2-3-5-8(7)6-10-11-9/h2,4,7-8,10-11H,3,5-6,9H2,1H3.
What are the key properties of 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene?
4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene has a molecular weight of 155.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminohydrazinyl)methyl]-3-methylcyclohexene is sourced from PubChem (CID 121451421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).