[1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine

C13H26N2O — CID 103170651

IUPAC[1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine
SMILESC=C(CC)CC(CC1CC(OCC)C1)NN
InChIInChI=1S/C13H26N2O/c1-4-10(3)6-12(15-14)7-11-8-13(9-11)16-5-2/h11-13,15H,3-9,14H2,1-2H3
InChIKeyYRHQWILZESKYBH-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.38
Rot. Bonds8

About [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine

[1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine (PubChem CID 103170651) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine
PubChem CID103170651
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine
SMILESC=C(CC)CC(CC1CC(OCC)C1)NN
InChIInChI=1S/C13H26N2O/c1-4-10(3)6-12(15-14)7-11-8-13(9-11)16-5-2/h11-13,15H,3-9,14H2,1-2H3
InChIKeyYRHQWILZESKYBH-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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': '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)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)-3-methylbut-3-en-2-amine
CID 103169046
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-Cyclohexyl-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170368
1-(3-Ethoxycyclobutyl)pentan-2-ylhydrazine
CID 103170369
[1-Cyclopentyl-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170370
[1-(3-Ethoxycyclobutyl)-4-methylpentan-2-yl]hydrazine
CID 103170372

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine?
The IUPAC name of [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine (CID 103170651) is [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine?
The canonical SMILES for [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine is C=C(CC)CC(CC1CC(OCC)C1)NN.
What is the InChIKey of [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine?
The InChIKey is YRHQWILZESKYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10(3)6-12(15-14)7-11-8-13(9-11)16-5-2/h11-13,15H,3-9,14H2,1-2H3.
What are the key properties of [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine?
[1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine has a molecular weight of 226.36 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-yl]hydrazine is sourced from PubChem (CID 103170651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).