(2-methoxy-2-methylhept-6-yn-3-yl)hydrazine

C9H18N2O — CID 105245367

IUPAC(2-methoxy-2-methylhept-6-yn-3-yl)hydrazine
SMILESC#CCCC(NN)C(C)(C)OC
InChIInChI=1S/C9H18N2O/c1-5-6-7-8(11-10)9(2,3)12-4/h1,8,11H,6-7,10H2,2-4H3
InChIKeyIGCSVSLXPFNOLV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.66
Rot. Bonds5

About (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine

(2-methoxy-2-methylhept-6-yn-3-yl)hydrazine (PubChem CID 105245367) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine.

Molecular Properties

Compound Name(2-methoxy-2-methylhept-6-yn-3-yl)hydrazine
PubChem CID105245367
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2-methoxy-2-methylhept-6-yn-3-yl)hydrazine
SMILESC#CCCC(NN)C(C)(C)OC
InChIInChI=1S/C9H18N2O/c1-5-6-7-8(11-10)9(2,3)12-4/h1,8,11H,6-7,10H2,2-4H3
InChIKeyIGCSVSLXPFNOLV-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine?
The IUPAC name of (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine (CID 105245367) is (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine.
What is the SMILES notation for (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine?
The canonical SMILES for (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine is C#CCCC(NN)C(C)(C)OC.
What is the InChIKey of (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine?
The InChIKey is IGCSVSLXPFNOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-7-8(11-10)9(2,3)12-4/h1,8,11H,6-7,10H2,2-4H3.
What are the key properties of (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine?
(2-methoxy-2-methylhept-6-yn-3-yl)hydrazine has a molecular weight of 170.26 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-methylhept-6-yn-3-yl)hydrazine is sourced from PubChem (CID 105245367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).