1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine

C13H28N2O — CID 103170452

IUPAC1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine
SMILESCCCCCC(CC1CC(OCC)C1)NN
InChIInChI=1S/C13H28N2O/c1-3-5-6-7-12(15-14)8-11-9-13(10-11)16-4-2/h11-13,15H,3-10,14H2,1-2H3
InChIKeyOFWTUMNEXYEJQN-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.60
Rot. Bonds9

About 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine

1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine (PubChem CID 103170452) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine
PubChem CID103170452
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine
SMILESCCCCCC(CC1CC(OCC)C1)NN
InChIInChI=1S/C13H28N2O/c1-3-5-6-7-12(15-14)8-11-9-13(10-11)16-4-2/h11-13,15H,3-10,14H2,1-2H3
InChIKeyOFWTUMNEXYEJQN-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.60
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-Ethoxycyclobutyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 103170593
[1-(3-Ethoxycyclobutyl)-6,6,6-trifluorohexan-2-yl]hydrazine
CID 103170729
(2-Propan-2-yloxan-4-yl)hydrazine
CID 64109526
[4-Methoxy-4-methyl-1-(oxan-4-yl)pentan-2-yl]hydrazine
CID 103025265
(1-Cyclobutyl-4-methoxy-4-methylpentan-2-yl)hydrazine
CID 103025331
[6-Methoxy-6-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 103025357
(1-Cyclobutyl-3-methoxy-3-methylbutyl)hydrazine
CID 103025511
(2-Methoxy-2,7-dimethylnonan-5-yl)hydrazine
CID 103026314
(1-Cyclobutyl-4-methoxy-4-methylpentyl)hydrazine
CID 103026424
[5-Methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-yl]hydrazine
CID 103027044
1-(3-Ethoxycyclobutyl)-3-methylbutan-2-amine
CID 103168201
1-(3-Ethoxycyclobutyl)butan-2-amine
CID 103168205

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine?
The IUPAC name of 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine (CID 103170452) is 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine is CCCCCC(CC1CC(OCC)C1)NN.
What is the InChIKey of 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine?
The InChIKey is OFWTUMNEXYEJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-5-6-7-12(15-14)8-11-9-13(10-11)16-4-2/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine?
1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine has a molecular weight of 228.38 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)heptan-2-ylhydrazine is sourced from PubChem (CID 103170452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).