1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine

C13H27NO — CID 58371730

IUPAC1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine
SMILESCC(C)CCN1CC(COCC(C)C)C1
InChIInChI=1S/C13H27NO/c1-11(2)5-6-14-7-13(8-14)10-15-9-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLNVPHZATMBBFLL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.64
Rot. Bonds7

About 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine

1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine (PubChem CID 58371730) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine
PubChem CID58371730
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine
SMILESCC(C)CCN1CC(COCC(C)C)C1
InChIInChI=1S/C13H27NO/c1-11(2)5-6-14-7-13(8-14)10-15-9-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLNVPHZATMBBFLL-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine?
The IUPAC name of 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine (CID 58371730) is 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine.
What is the SMILES notation for 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine?
The canonical SMILES for 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine is CC(C)CCN1CC(COCC(C)C)C1.
What is the InChIKey of 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine?
The InChIKey is LNVPHZATMBBFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)5-6-14-7-13(8-14)10-15-9-12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine?
1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine has a molecular weight of 213.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-(2-methylpropoxymethyl)azetidine is sourced from PubChem (CID 58371730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).