(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine

C13H28N2O — CID 105273739

IUPAC(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine
SMILESC=C(C)CCC(NN)C(OCC)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-16-12(13(4,5)6)11(15-14)9-8-10(2)3/h11-12,15H,2,7-9,14H2,1,3-6H3
InChIKeyHSBSKFRLQXRWIB-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.63
Rot. Bonds7

About (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine

(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine (PubChem CID 105273739) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine.

Molecular Properties

Compound Name(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine
PubChem CID105273739
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine
SMILESC=C(C)CCC(NN)C(OCC)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-16-12(13(4,5)6)11(15-14)9-8-10(2)3/h11-12,15H,2,7-9,14H2,1,3-6H3
InChIKeyHSBSKFRLQXRWIB-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
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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Related Compounds

(5-ethoxy-1-ethylsulfonyl-6,6-dimethylheptan-4-yl)hydrazine
CID 105273689
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749
3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine
CID 114476002
(1-ethoxy-5-methyl-1-phenylhex-5-en-2-yl)hydrazine
CID 105279270
3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine
CID 114475977
5,5-diethoxy-2-methylpent-1-ene
CID 131855560
3,3,7-trimethyloct-7-en-4-ylhydrazine
CID 105336008
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
[1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273802
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273741

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine?
The IUPAC name of (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine (CID 105273739) is (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine.
What is the SMILES notation for (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine?
The canonical SMILES for (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine is C=C(C)CCC(NN)C(OCC)C(C)(C)C.
What is the InChIKey of (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine?
The InChIKey is HSBSKFRLQXRWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-16-12(13(4,5)6)11(15-14)9-8-10(2)3/h11-12,15H,2,7-9,14H2,1,3-6H3.
What are the key properties of (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine?
(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine has a molecular weight of 228.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine is sourced from PubChem (CID 105273739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).