1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine

C10H18N2O — CID 129262877

IUPAC1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine
SMILESCOC1=CCCCC(N(C)N)=C1C
InChIInChI=1S/C10H18N2O/c1-8-9(12(2)11)6-4-5-7-10(8)13-3/h7H,4-6,11H2,1-3H3
InChIKeySDBQRXDZJHCJBE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.78
Rot. Bonds2

About 1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine

1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine (PubChem CID 129262877) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine.

Molecular Properties

Compound Name1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine
PubChem CID129262877
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine
SMILESCOC1=CCCCC(N(C)N)=C1C
InChIInChI=1S/C10H18N2O/c1-8-9(12(2)11)6-4-5-7-10(8)13-3/h7H,4-6,11H2,1-3H3
InChIKeySDBQRXDZJHCJBE-UHFFFAOYSA-N
XLogP1.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine?
The IUPAC name of 1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine (CID 129262877) is 1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine.
What is the SMILES notation for 1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine?
The canonical SMILES for 1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine is COC1=CCCCC(N(C)N)=C1C.
What is the InChIKey of 1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine?
The InChIKey is SDBQRXDZJHCJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-9(12(2)11)6-4-5-7-10(8)13-3/h7H,4-6,11H2,1-3H3.
What are the key properties of 1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine?
1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine has a molecular weight of 182.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine is sourced from PubChem (CID 129262877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).