1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine

C12H24N2O — CID 103560471

IUPAC1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine
SMILESC=CCCCC(CC1(OC)CCC1)NN
InChIInChI=1S/C12H24N2O/c1-3-4-5-7-11(14-13)10-12(15-2)8-6-9-12/h3,11,14H,1,4-10,13H2,2H3
InChIKeyIBSHMNQVIAVTGF-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.13
Rot. Bonds8

About 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine

1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine (PubChem CID 103560471) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine
PubChem CID103560471
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine
SMILESC=CCCCC(CC1(OC)CCC1)NN
InChIInChI=1S/C12H24N2O/c1-3-4-5-7-11(14-13)10-12(15-2)8-6-9-12/h3,11,14H,1,4-10,13H2,2H3
InChIKeyIBSHMNQVIAVTGF-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine?
The IUPAC name of 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine (CID 103560471) is 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine?
The canonical SMILES for 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine is C=CCCCC(CC1(OC)CCC1)NN.
What is the InChIKey of 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine?
The InChIKey is IBSHMNQVIAVTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-7-11(14-13)10-12(15-2)8-6-9-12/h3,11,14H,1,4-10,13H2,2H3.
What are the key properties of 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine?
1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine has a molecular weight of 212.34 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)hept-6-en-2-ylhydrazine is sourced from PubChem (CID 103560471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).