3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine

C13H25NO — CID 103522760

IUPAC3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC=C(C)C)C1(C)C
InChIInChI=1S/C13H25NO/c1-6-15-12-9-11(13(12,4)5)14-8-7-10(2)3/h7,11-12,14H,6,8-9H2,1-5H3
InChIKeyHLZPZVCCFQLWPI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine (PubChem CID 103522760) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
PubChem CID103522760
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC=C(C)C)C1(C)C
InChIInChI=1S/C13H25NO/c1-6-15-12-9-11(13(12,4)5)14-8-7-10(2)3/h7,11-12,14H,6,8-9H2,1-5H3
InChIKeyHLZPZVCCFQLWPI-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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

3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 53626295
N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64724383
2,2-dimethyl-3-(2-methylpropoxy)-N-prop-2-enylcyclobutan-1-amine
CID 64850375
3-ethoxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 64851108
3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine
CID 64851306
N-butyl-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64851308
3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
CID 64851689
N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64851881
3-ethoxy-2,2-dimethyl-N-pentan-3-ylcyclobutan-1-amine
CID 64851883
N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64852288
3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine
CID 64852669
3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine
CID 64852861

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine (CID 103522760) is 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine is CCOC1CC(NCC=C(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The InChIKey is HLZPZVCCFQLWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-15-12-9-11(13(12,4)5)14-8-7-10(2)3/h7,11-12,14H,6,8-9H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine is sourced from PubChem (CID 103522760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).