4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine

C12H22N2O — CID 68577038

IUPAC4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine
SMILESNC1CCC(N2C[C@H]3CC[C@H](C2)O3)CC1
InChIInChI=1S/C12H22N2O/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-14)15-11/h9-12H,1-8,13H2/t9?,10?,11-,12-/m1/s1
InChIKeyJHWXVHJNXAOZEW-KIDURHIOSA-N
MW210.32 g/mol
LogP1.12
Rot. Bonds1

About 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine

4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine (PubChem CID 68577038) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine
PubChem CID68577038
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine
SMILESNC1CCC(N2C[C@H]3CC[C@H](C2)O3)CC1
InChIInChI=1S/C12H22N2O/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-14)15-11/h9-12H,1-8,13H2/t9?,10?,11-,12-/m1/s1
InChIKeyJHWXVHJNXAOZEW-KIDURHIOSA-N
XLogP1.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine (CID 68577038) is 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine is NC1CCC(N2C[C@H]3CC[C@H](C2)O3)CC1.
What is the InChIKey of 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine?
The InChIKey is JHWXVHJNXAOZEW-KIDURHIOSA-N. The full InChI is InChI=1S/C12H22N2O/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-14)15-11/h9-12H,1-8,13H2/t9?,10?,11-,12-/m1/s1.
What are the key properties of 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine?
4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 68577038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).