(5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine

C10H20N2O — CID 105274802

IUPAC(5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine
SMILESC#CCC(NN)C(C)(CC)OCC
InChIInChI=1S/C10H20N2O/c1-5-8-9(12-11)10(4,6-2)13-7-3/h1,9,12H,6-8,11H2,2-4H3
InChIKeyBENRUDJRFABCRW-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.05
Rot. Bonds6

About (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine

(5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine (PubChem CID 105274802) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine.

Molecular Properties

Compound Name(5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine
PubChem CID105274802
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine
SMILESC#CCC(NN)C(C)(CC)OCC
InChIInChI=1S/C10H20N2O/c1-5-8-9(12-11)10(4,6-2)13-7-3/h1,9,12H,6-8,11H2,2-4H3
InChIKeyBENRUDJRFABCRW-UHFFFAOYSA-N
XLogP1.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.05
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-methoxy-5-methylhept-1-yn-4-yl)hydrazine
CID 105274464
(3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine
CID 105274762
(3-ethoxy-3-methyloctan-4-yl)hydrazine
CID 105274622
(3-ethoxy-3-methylnon-7-yn-4-yl)hydrazine
CID 105274834
(3-ethoxy-3-methyldecan-4-yl)hydrazine
CID 105274844
4-hydrazinyl-N,N,3-trimethylhept-6-yn-3-amine
CID 105240612
(1-cyclobutyl-3-ethoxy-3-methylpentan-2-yl)hydrazine
CID 105274806
(3-ethoxy-3-ethyloct-7-yn-4-yl)hydrazine
CID 105275085
[3-ethoxy-3-methyl-1-(3-methylphenyl)pentan-2-yl]hydrazine
CID 105274721
[3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylpentan-2-yl]hydrazine
CID 105274938
5-ethoxy-N-ethyl-5-methylhept-1-en-4-amine
CID 116758987
(1-cyclobutyl-2-ethoxy-2-methylbutyl)hydrazine
CID 105274890

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine?
The IUPAC name of (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine (CID 105274802) is (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine.
What is the SMILES notation for (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine?
The canonical SMILES for (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine is C#CCC(NN)C(C)(CC)OCC.
What is the InChIKey of (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine?
The InChIKey is BENRUDJRFABCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-8-9(12-11)10(4,6-2)13-7-3/h1,9,12H,6-8,11H2,2-4H3.
What are the key properties of (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine?
(5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine has a molecular weight of 184.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-5-methylhept-1-yn-4-yl)hydrazine is sourced from PubChem (CID 105274802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).