1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine

C15H25NO3 — CID 165371205

IUPAC1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine
SMILESCOC1CC(OCC#CCOCCN2CC(C)C2)C1
InChIInChI=1S/C15H25NO3/c1-13-11-16(12-13)5-8-18-6-3-4-7-19-15-9-14(10-15)17-2/h13-15H,5-12H2,1-2H3
InChIKeyCAIGXJQPNHOHDE-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.15
Rot. Bonds7

About 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine

1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine (PubChem CID 165371205) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine.

Molecular Properties

Compound Name1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine
PubChem CID165371205
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine
SMILESCOC1CC(OCC#CCOCCN2CC(C)C2)C1
InChIInChI=1S/C15H25NO3/c1-13-11-16(12-13)5-8-18-6-3-4-7-19-15-9-14(10-15)17-2/h13-15H,5-12H2,1-2H3
InChIKeyCAIGXJQPNHOHDE-UHFFFAOYSA-N
XLogP1.15
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine?
The IUPAC name of 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine (CID 165371205) is 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine.
What is the SMILES notation for 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine?
The canonical SMILES for 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine is COC1CC(OCC#CCOCCN2CC(C)C2)C1.
What is the InChIKey of 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine?
The InChIKey is CAIGXJQPNHOHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13-11-16(12-13)5-8-18-6-3-4-7-19-15-9-14(10-15)17-2/h13-15H,5-12H2,1-2H3.
What are the key properties of 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine?
1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine has a molecular weight of 267.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methoxycyclobutyl)oxybut-2-ynoxy]ethyl]-3-methylazetidine is sourced from PubChem (CID 165371205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).