1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol

C12H24N2O2 — CID 66371055

IUPAC1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol
SMILESCC(O)(CN)CCCN1CC2CCC(C1)O2
InChIInChI=1S/C12H24N2O2/c1-12(15,9-13)5-2-6-14-7-10-3-4-11(8-14)16-10/h10-11,15H,2-9,13H2,1H3
InChIKeyCVVXNHZZOIPIGP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.34
Rot. Bonds5

About 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol

1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol (PubChem CID 66371055) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol
PubChem CID66371055
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol
SMILESCC(O)(CN)CCCN1CC2CCC(C1)O2
InChIInChI=1S/C12H24N2O2/c1-12(15,9-13)5-2-6-14-7-10-3-4-11(8-14)16-10/h10-11,15H,2-9,13H2,1H3
InChIKeyCVVXNHZZOIPIGP-UHFFFAOYSA-N
XLogP0.34
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol (CID 66371055) is 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol is CC(O)(CN)CCCN1CC2CCC(C1)O2.
What is the InChIKey of 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol?
The InChIKey is CVVXNHZZOIPIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(15,9-13)5-2-6-14-7-10-3-4-11(8-14)16-10/h10-11,15H,2-9,13H2,1H3.
What are the key properties of 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol?
1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-ol is sourced from PubChem (CID 66371055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).