3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine

C11H19NO — CID 130601944

IUPAC3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine
SMILESCOCC1(C=C2CC(N)C2)CCC1
InChIInChI=1S/C11H19NO/c1-13-8-11(3-2-4-11)7-9-5-10(12)6-9/h7,10H,2-6,8,12H2,1H3/b9-7-
InChIKeyDUXSCLRDFLZSLP-CLFYSBASSA-N
MW181.28 g/mol
LogP1.85
Rot. Bonds3

About 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine

3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine (PubChem CID 130601944) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine
PubChem CID130601944
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine
SMILESCOCC1(C=C2CC(N)C2)CCC1
InChIInChI=1S/C11H19NO/c1-13-8-11(3-2-4-11)7-9-5-10(12)6-9/h7,10H,2-6,8,12H2,1H3/b9-7-
InChIKeyDUXSCLRDFLZSLP-CLFYSBASSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine
CID 177317232

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine?
The IUPAC name of 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine (CID 130601944) is 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine.
What is the SMILES notation for 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine?
The canonical SMILES for 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine is COCC1(C=C2CC(N)C2)CCC1.
What is the InChIKey of 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine?
The InChIKey is DUXSCLRDFLZSLP-CLFYSBASSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-8-11(3-2-4-11)7-9-5-10(12)6-9/h7,10H,2-6,8,12H2,1H3/b9-7-.
What are the key properties of 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine?
3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine is sourced from PubChem (CID 130601944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).