3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine

C11H21NO — CID 64851306

IUPAC3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1CC(OCC)C1(C)C
InChIInChI=1S/C11H21NO/c1-5-7-12-9-8-10(13-6-2)11(9,3)4/h5,9-10,12H,1,6-8H2,2-4H3
InChIKeyMTZOFVHVZJDNRY-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine (PubChem CID 64851306) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine
PubChem CID64851306
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1CC(OCC)C1(C)C
InChIInChI=1S/C11H21NO/c1-5-7-12-9-8-10(13-6-2)11(9,3)4/h5,9-10,12H,1,6-8H2,2-4H3
InChIKeyMTZOFVHVZJDNRY-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine (CID 64851306) is 3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine is C=CCNC1CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine?
The InChIKey is MTZOFVHVZJDNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-12-9-8-10(13-6-2)11(9,3)4/h5,9-10,12H,1,6-8H2,2-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 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-prop-2-enylcyclobutan-1-amine is sourced from PubChem (CID 64851306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).