N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine

C12H23NO3 — CID 107943674

IUPACN-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1OC1CCOC1
InChIInChI=1S/C12H23NO3/c1-3-5-15-12-10(13-2)7-11(12)16-9-4-6-14-8-9/h9-13H,3-8H2,1-2H3
InChIKeyCEBKBTANOWKBIV-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.95
Rot. Bonds6

About N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine

N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943674) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine
PubChem CID107943674
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1OC1CCOC1
InChIInChI=1S/C12H23NO3/c1-3-5-15-12-10(13-2)7-11(12)16-9-4-6-14-8-9/h9-13H,3-8H2,1-2H3
InChIKeyCEBKBTANOWKBIV-UHFFFAOYSA-N
XLogP0.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine (CID 107943674) is N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine is CCCOC1C(NC)CC1OC1CCOC1.
What is the InChIKey of N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine?
The InChIKey is CEBKBTANOWKBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-5-15-12-10(13-2)7-11(12)16-9-4-6-14-8-9/h9-13H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine?
N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).