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

C11H21NO — CID 103273002

IUPAC2-(1-but-3-enoxycyclobutyl)-N-methylethanamine
SMILESC=CCCOC1(CCNC)CCC1
InChIInChI=1S/C11H21NO/c1-3-4-10-13-11(6-5-7-11)8-9-12-2/h3,12H,1,4-10H2,2H3
InChIKeyNEYDUMRXFUGHHJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds7

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

2-(1-but-3-enoxycyclobutyl)-N-methylethanamine (PubChem CID 103273002) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(1-but-3-enoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-but-3-enoxycyclobutyl)-N-methylethanamine
PubChem CID103273002
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(1-but-3-enoxycyclobutyl)-N-methylethanamine
SMILESC=CCCOC1(CCNC)CCC1
InChIInChI=1S/C11H21NO/c1-3-4-10-13-11(6-5-7-11)8-9-12-2/h3,12H,1,4-10H2,2H3
InChIKeyNEYDUMRXFUGHHJ-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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Related Compounds

1-(3-but-3-enoxycyclobutyl)-N-methylmethanamine
CID 65989465
2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine
CID 103272937
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
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
N-[2-(1-but-3-enoxycyclobutyl)ethyl]propan-1-amine
CID 103272997
2-(1-but-3-enoxycyclobutyl)-N-ethylethanamine
CID 103272998
N-[2-(1-but-3-enoxycyclobutyl)ethyl]-2-methylpropan-2-amine
CID 103272999
N-[2-(1-but-3-enoxycyclobutyl)ethyl]cyclopropanamine
CID 103273000

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-3-enoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 2-(1-but-3-enoxycyclobutyl)-N-methylethanamine (CID 103273002) is 2-(1-but-3-enoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 2-(1-but-3-enoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 2-(1-but-3-enoxycyclobutyl)-N-methylethanamine is C=CCCOC1(CCNC)CCC1.
What is the InChIKey of 2-(1-but-3-enoxycyclobutyl)-N-methylethanamine?
The InChIKey is NEYDUMRXFUGHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-10-13-11(6-5-7-11)8-9-12-2/h3,12H,1,4-10H2,2H3.
What are the key properties of 2-(1-but-3-enoxycyclobutyl)-N-methylethanamine?
2-(1-but-3-enoxycyclobutyl)-N-methylethanamine 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 2-(1-but-3-enoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103273002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).