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

C12H24N2O — CID 66391877

IUPAC4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine
SMILESCC(C)CC(CN)N1CC2CCC(C1)O2
InChIInChI=1S/C12H24N2O/c1-9(2)5-10(6-13)14-7-11-3-4-12(8-14)15-11/h9-12H,3-8,13H2,1-2H3
InChIKeyUNZLTYIKDRQCFK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.22
Rot. Bonds4

About 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine

4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine (PubChem CID 66391877) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine
PubChem CID66391877
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine
SMILESCC(C)CC(CN)N1CC2CCC(C1)O2
InChIInChI=1S/C12H24N2O/c1-9(2)5-10(6-13)14-7-11-3-4-12(8-14)15-11/h9-12H,3-8,13H2,1-2H3
InChIKeyUNZLTYIKDRQCFK-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine?
The IUPAC name of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine (CID 66391877) is 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine is CC(C)CC(CN)N1CC2CCC(C1)O2.
What is the InChIKey of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine?
The InChIKey is UNZLTYIKDRQCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)5-10(6-13)14-7-11-3-4-12(8-14)15-11/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine?
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine is sourced from PubChem (CID 66391877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).