[4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C16H28N2O2 — CID 66264840

IUPAC[4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCNC1COCC1C(=O)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C16H28N2O2/c1-15(2)5-11-6-16(3,9-15)10-18(11)14(19)12-7-20-8-13(12)17-4/h11-13,17H,5-10H2,1-4H3
InChIKeyAPTVLVWUSKWULN-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.65
Rot. Bonds2

About [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

[4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 66264840) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID66264840
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCNC1COCC1C(=O)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C16H28N2O2/c1-15(2)5-11-6-16(3,9-15)10-18(11)14(19)12-7-20-8-13(12)17-4/h11-13,17H,5-10H2,1-4H3
InChIKeyAPTVLVWUSKWULN-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 66264840) is [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is CNC1COCC1C(=O)N1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is APTVLVWUSKWULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15(2)5-11-6-16(3,9-15)10-18(11)14(19)12-7-20-8-13(12)17-4/h11-13,17H,5-10H2,1-4H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
[4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 66264840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).