2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine

C16H31NO2 — CID 66350677

IUPAC2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCC2CCOC2)C1(CC)CC
InChIInChI=1S/C16H31NO2/c1-4-8-17-14-10-15(16(14,5-2)6-3)19-12-13-7-9-18-11-13/h13-15,17H,4-12H2,1-3H3
InChIKeyOIVPPBMKHYPWGV-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.99
Rot. Bonds8

About 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine

2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine (PubChem CID 66350677) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine
PubChem CID66350677
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCC2CCOC2)C1(CC)CC
InChIInChI=1S/C16H31NO2/c1-4-8-17-14-10-15(16(14,5-2)6-3)19-12-13-7-9-18-11-13/h13-15,17H,4-12H2,1-3H3
InChIKeyOIVPPBMKHYPWGV-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine (CID 66350677) is 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(OCC2CCOC2)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine?
The InChIKey is OIVPPBMKHYPWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-8-17-14-10-15(16(14,5-2)6-3)19-12-13-7-9-18-11-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine?
2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(oxolan-3-ylmethoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66350677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).