1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine

C19H39NO2 — CID 166648731

IUPAC1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine
SMILESCCCC(C)(C)OCCN1CC(CCCCOC(C)(C)C)C1
InChIInChI=1S/C19H39NO2/c1-7-11-19(5,6)22-14-12-20-15-17(16-20)10-8-9-13-21-18(2,3)4/h17H,7-16H2,1-6H3
InChIKeyQNFMXGMHNGHGIC-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.50
Rot. Bonds11

About 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine

1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine (PubChem CID 166648731) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine.

Molecular Properties

Compound Name1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine
PubChem CID166648731
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine
SMILESCCCC(C)(C)OCCN1CC(CCCCOC(C)(C)C)C1
InChIInChI=1S/C19H39NO2/c1-7-11-19(5,6)22-14-12-20-15-17(16-20)10-8-9-13-21-18(2,3)4/h17H,7-16H2,1-6H3
InChIKeyQNFMXGMHNGHGIC-UHFFFAOYSA-N
XLogP4.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine
CID 146606048
4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine
CID 166004662
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 47811029
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine
CID 112590949
4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
CID 10821871
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine
CID 112590921
3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine
CID 134488874
(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
CID 154957359

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine?
The IUPAC name of 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine (CID 166648731) is 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine.
What is the SMILES notation for 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine?
The canonical SMILES for 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine is CCCC(C)(C)OCCN1CC(CCCCOC(C)(C)C)C1.
What is the InChIKey of 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine?
The InChIKey is QNFMXGMHNGHGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-7-11-19(5,6)22-14-12-20-15-17(16-20)10-8-9-13-21-18(2,3)4/h17H,7-16H2,1-6H3.
What are the key properties of 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine?
1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine has a molecular weight of 313.53 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpentan-2-yloxy)ethyl]-3-[4-[(2-methylpropan-2-yl)oxy]butyl]azetidine is sourced from PubChem (CID 166648731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).