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

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Related Compounds

3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
CID 66357579
3-(2-ethoxyethoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66359597
2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
CID 66353076
4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane
CID 66343303
N,2-diethyl-2-methyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine
CID 66350254
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 109390712
3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
CID 82808639
N,2,2-triethyl-3-propoxycyclobutan-1-amine
CID 66358672
N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine
CID 66350255
N,2,2-triethyl-3-propan-2-yloxycyclobutan-1-amine
CID 66359205
[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
CID 79640489

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).