2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine

C12H23NO — CID 103272998

IUPAC2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine
SMILESC=CCCOC1(CCNCC)CCC1
InChIInChI=1S/C12H23NO/c1-3-5-11-14-12(7-6-8-12)9-10-13-4-2/h3,13H,1,4-11H2,2H3
InChIKeyIBMMVBIEXFVGDO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds8

About 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine

2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine (PubChem CID 103272998) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine
PubChem CID103272998
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine
SMILESC=CCCOC1(CCNCC)CCC1
InChIInChI=1S/C12H23NO/c1-3-5-11-14-12(7-6-8-12)9-10-13-4-2/h3,13H,1,4-11H2,2H3
InChIKeyIBMMVBIEXFVGDO-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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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Related Compounds

1-(3-but-3-enoxycyclobutyl)-N-methylmethanamine
CID 65989465
N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103272931
N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine
CID 103272932
2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine
CID 103272933
2-methyl-N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-1-amine
CID 103272988
N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-1-amine
CID 103272989
N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
CID 103272990
2-methyl-N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine
CID 103272991
N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine
CID 103272993
N-methyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
CID 103272994
2-(1-But-3-enoxycyclobutyl)ethanamine
CID 103272995
N-[2-(1-but-3-enoxycyclobutyl)ethyl]-2-methylpropan-1-amine
CID 103272996

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine?
The IUPAC name of 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine (CID 103272998) is 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine.
What is the SMILES notation for 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine?
The canonical SMILES for 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine is C=CCCOC1(CCNCC)CCC1.
What is the InChIKey of 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine?
The InChIKey is IBMMVBIEXFVGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-11-14-12(7-6-8-12)9-10-13-4-2/h3,13H,1,4-11H2,2H3.
What are the key properties of 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine?
2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine is sourced from PubChem (CID 103272998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).