(3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine

C11H22N2O — CID 105274762

IUPAC(3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine
SMILESC#CCCC(NN)C(C)(CC)OCC
InChIInChI=1S/C11H22N2O/c1-5-8-9-10(13-12)11(4,6-2)14-7-3/h1,10,13H,6-9,12H2,2-4H3
InChIKeyNTIOFOKWPAKPEY-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.44
Rot. Bonds7

About (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine

(3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine (PubChem CID 105274762) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine.

Molecular Properties

Compound Name(3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine
PubChem CID105274762
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine
SMILESC#CCCC(NN)C(C)(CC)OCC
InChIInChI=1S/C11H22N2O/c1-5-8-9-10(13-12)11(4,6-2)14-7-3/h1,10,13H,6-9,12H2,2-4H3
InChIKeyNTIOFOKWPAKPEY-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.44
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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Related Compounds

(5-Ethoxy-1,1,1-trifluoro-5-methylheptan-4-yl)hydrazine
CID 105274628
(5-Ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-yl)hydrazine
CID 105274961
1-(4-Methylhexan-3-yl)-2-[2-methyl-2-(3-methylpentoxy)propyl]hydrazine
CID 91360725
(6-Methoxy-6-methylhept-1-yn-4-yl)hydrazine
CID 103025160
(2-Methoxy-2-methyloct-6-yn-4-yl)hydrazine
CID 103025215
(2-Methoxy-2-methyloct-7-yn-4-yl)hydrazine
CID 103025321
1-Propoxyhex-5-yn-2-ylhydrazine
CID 105210005
(2-Ethoxy-4-ethylhexan-3-yl)hydrazine
CID 105222687
2-Ethoxyhept-6-yn-3-ylhydrazine
CID 105222839
2-Ethoxyoct-7-yn-3-ylhydrazine
CID 105222870
2-Ethoxyoct-6-yn-3-ylhydrazine
CID 105222915
(2-Ethoxy-4-methylhexan-3-yl)hydrazine
CID 105222935

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine?
The IUPAC name of (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine (CID 105274762) is (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine.
What is the SMILES notation for (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine?
The canonical SMILES for (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine is C#CCCC(NN)C(C)(CC)OCC.
What is the InChIKey of (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine?
The InChIKey is NTIOFOKWPAKPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-8-9-10(13-12)11(4,6-2)14-7-3/h1,10,13H,6-9,12H2,2-4H3.
What are the key properties of (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine?
(3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine has a molecular weight of 198.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine is sourced from PubChem (CID 105274762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).