N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine

C12H24N2O — CID 66391107

IUPACN-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine
SMILESCCCC(CN1CC2CCC(C1)O2)NC
InChIInChI=1S/C12H24N2O/c1-3-4-10(13-2)7-14-8-11-5-6-12(9-14)15-11/h10-13H,3-9H2,1-2H3
InChIKeyAZBMPMUVLLCXOL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds5

About N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine

N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine (PubChem CID 66391107) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine
PubChem CID66391107
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine
SMILESCCCC(CN1CC2CCC(C1)O2)NC
InChIInChI=1S/C12H24N2O/c1-3-4-10(13-2)7-14-8-11-5-6-12(9-14)15-11/h10-13H,3-9H2,1-2H3
InChIKeyAZBMPMUVLLCXOL-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine?
The IUPAC name of N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine (CID 66391107) is N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine is CCCC(CN1CC2CCC(C1)O2)NC.
What is the InChIKey of N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine?
The InChIKey is AZBMPMUVLLCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-10(13-2)7-14-8-11-5-6-12(9-14)15-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine?
N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine is sourced from PubChem (CID 66391107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).