4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine

C12H22N2O — CID 115295423

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine
SMILESNC1(CN2CC3CCC2C3)CCOCC1
InChIInChI=1S/C12H22N2O/c13-12(3-5-15-6-4-12)9-14-8-10-1-2-11(14)7-10/h10-11H,1-9,13H2
InChIKeyOCUOFBXTDBKHPA-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.98
Rot. Bonds2

About 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine

4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine (PubChem CID 115295423) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine
PubChem CID115295423
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine
SMILESNC1(CN2CC3CCC2C3)CCOCC1
InChIInChI=1S/C12H22N2O/c13-12(3-5-15-6-4-12)9-14-8-10-1-2-11(14)7-10/h10-11H,1-9,13H2
InChIKeyOCUOFBXTDBKHPA-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 64554255
4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine
CID 115295408
2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile
CID 65494869
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine
CID 104959111
4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-amine
CID 115295276
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
CID 94247679
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-amine
CID 82750618
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 62260442
N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 62260616
4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 113280991
ethane;2-ethyl-2-azabicyclo[2.2.1]heptane
CID 172608634

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine (CID 115295423) is 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine is NC1(CN2CC3CCC2C3)CCOCC1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine?
The InChIKey is OCUOFBXTDBKHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-12(3-5-15-6-4-12)9-14-8-10-1-2-11(14)7-10/h10-11H,1-9,13H2.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine?
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine has a molecular weight of 210.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 115295423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).