N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine

C11H21NO — CID 103272990

IUPACN-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
SMILESC=CCOC1(CCNCC)CCC1
InChIInChI=1S/C11H21NO/c1-3-10-13-11(6-5-7-11)8-9-12-4-2/h3,12H,1,4-10H2,2H3
InChIKeyVOGOCJMFOKZBOK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds7

About N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine

N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine (PubChem CID 103272990) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
PubChem CID103272990
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
SMILESC=CCOC1(CCNCC)CCC1
InChIInChI=1S/C11H21NO/c1-3-10-13-11(6-5-7-11)8-9-12-4-2/h3,12H,1,4-10H2,2H3
InChIKeyVOGOCJMFOKZBOK-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine (CID 103272990) is N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine is C=CCOC1(CCNCC)CCC1.
What is the InChIKey of N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine?
The InChIKey is VOGOCJMFOKZBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10-13-11(6-5-7-11)8-9-12-4-2/h3,12H,1,4-10H2,2H3.
What are the key properties of N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine?
N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine is sourced from PubChem (CID 103272990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).