2-methyloct-7-yn-3-ylhydrazine

C9H18N2 — CID 105199587

IUPAC2-methyloct-7-yn-3-ylhydrazine
SMILESC#CCCCC(NN)C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-6-7-9(11-10)8(2)3/h1,8-9,11H,5-7,10H2,2-3H3
InChIKeyTVSHUROXPDHZGV-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.28
Rot. Bonds5

About 2-methyloct-7-yn-3-ylhydrazine

2-methyloct-7-yn-3-ylhydrazine (PubChem CID 105199587) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyloct-7-yn-3-ylhydrazine.

Molecular Properties

Compound Name2-methyloct-7-yn-3-ylhydrazine
PubChem CID105199587
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyloct-7-yn-3-ylhydrazine
SMILESC#CCCCC(NN)C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-6-7-9(11-10)8(2)3/h1,8-9,11H,5-7,10H2,2-3H3
InChIKeyTVSHUROXPDHZGV-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.28
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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Frequently Asked Questions

What is the IUPAC name of 2-methyloct-7-yn-3-ylhydrazine?
The IUPAC name of 2-methyloct-7-yn-3-ylhydrazine (CID 105199587) is 2-methyloct-7-yn-3-ylhydrazine.
What is the SMILES notation for 2-methyloct-7-yn-3-ylhydrazine?
The canonical SMILES for 2-methyloct-7-yn-3-ylhydrazine is C#CCCCC(NN)C(C)C.
What is the InChIKey of 2-methyloct-7-yn-3-ylhydrazine?
The InChIKey is TVSHUROXPDHZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-7-9(11-10)8(2)3/h1,8-9,11H,5-7,10H2,2-3H3.
What are the key properties of 2-methyloct-7-yn-3-ylhydrazine?
2-methyloct-7-yn-3-ylhydrazine has a molecular weight of 154.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloct-7-yn-3-ylhydrazine is sourced from PubChem (CID 105199587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).