1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine

C13H26N2O — CID 103170571

IUPAC1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine
SMILESC=CCCCC(CC1CC(OCC)C1)NN
InChIInChI=1S/C13H26N2O/c1-3-5-6-7-12(15-14)8-11-9-13(10-11)16-4-2/h3,11-13,15H,1,4-10,14H2,2H3
InChIKeyJYIVSKGCZIMGTM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.38
Rot. Bonds9

About 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine

1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine (PubChem CID 103170571) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine
PubChem CID103170571
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine
SMILESC=CCCCC(CC1CC(OCC)C1)NN
InChIInChI=1S/C13H26N2O/c1-3-5-6-7-12(15-14)8-11-9-13(10-11)16-4-2/h3,11-13,15H,1,4-10,14H2,2H3
InChIKeyJYIVSKGCZIMGTM-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-(3-Ethoxycyclobutyl)pent-4-en-2-amine
CID 103168312
1-(3-Ethoxycyclobutyl)hept-6-en-2-amine
CID 103168775
1-(3-Ethoxycyclobutyl)hex-5-en-2-amine
CID 103168782
1-(3-Ethoxycyclobutyl)-4-methylpent-4-en-2-amine
CID 103169031
1-(3-Ethoxycyclobutyl)-4-methylidenehexan-2-amine
CID 103169054
1-(3-Ethoxycyclobutyl)-5-methylhex-5-en-2-amine
CID 103169527
[1-(3-Ethoxycyclobutyl)-3-methylbutan-2-yl]hydrazine
CID 103170366
1-(3-Ethoxycyclobutyl)butan-2-ylhydrazine
CID 103170367
1-(3-Ethoxycyclobutyl)pentan-2-ylhydrazine
CID 103170369
[1-(3-Ethoxycyclobutyl)-4-methylpentan-2-yl]hydrazine
CID 103170372
1-(3-Ethoxycyclobutyl)pent-4-en-2-ylhydrazine
CID 103170413
1-(3-Ethoxycyclobutyl)nonan-2-ylhydrazine
CID 103170447

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine?
The IUPAC name of 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine (CID 103170571) is 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine is C=CCCCC(CC1CC(OCC)C1)NN.
What is the InChIKey of 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine?
The InChIKey is JYIVSKGCZIMGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-6-7-12(15-14)8-11-9-13(10-11)16-4-2/h3,11-13,15H,1,4-10,14H2,2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine?
1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine has a molecular weight of 226.36 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)hept-6-en-2-ylhydrazine is sourced from PubChem (CID 103170571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).