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

C10H19NO — CID 77108713

IUPAC1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine
SMILESCC=CCOC1CC(CNC)C1
InChIInChI=1S/C10H19NO/c1-3-4-5-12-10-6-9(7-10)8-11-2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyUAWQWHDHTRQVEW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds5

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

1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine (PubChem CID 77108713) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine
PubChem CID77108713
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine
SMILESCC=CCOC1CC(CNC)C1
InChIInChI=1S/C10H19NO/c1-3-4-5-12-10-6-9(7-10)8-11-2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyUAWQWHDHTRQVEW-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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 1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine?
The IUPAC name of 1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine (CID 77108713) is 1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine is CC=CCOC1CC(CNC)C1.
What is the InChIKey of 1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine?
The InChIKey is UAWQWHDHTRQVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-12-10-6-9(7-10)8-11-2/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine?
1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-but-2-enoxycyclobutyl)-N-methylmethanamine is sourced from PubChem (CID 77108713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).