[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine

C13H24N2O2 — CID 66392857

IUPAC[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine
SMILESNCC1(N2CC3CCC(C2)O3)CCCOCC1
InChIInChI=1S/C13H24N2O2/c14-10-13(4-1-6-16-7-5-13)15-8-11-2-3-12(9-15)17-11/h11-12H,1-10,14H2
InChIKeyFRXUYXBMCCYECW-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds2

About [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine

[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine (PubChem CID 66392857) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine
PubChem CID66392857
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine
SMILESNCC1(N2CC3CCC(C2)O3)CCCOCC1
InChIInChI=1S/C13H24N2O2/c14-10-13(4-1-6-16-7-5-13)15-8-11-2-3-12(9-15)17-11/h11-12H,1-10,14H2
InChIKeyFRXUYXBMCCYECW-UHFFFAOYSA-N
XLogP0.75
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine?
The IUPAC name of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine (CID 66392857) is [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine.
What is the SMILES notation for [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine?
The canonical SMILES for [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine is NCC1(N2CC3CCC(C2)O3)CCCOCC1.
What is the InChIKey of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine?
The InChIKey is FRXUYXBMCCYECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-10-13(4-1-6-16-7-5-13)15-8-11-2-3-12(9-15)17-11/h11-12H,1-10,14H2.
What are the key properties of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine?
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine is sourced from PubChem (CID 66392857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).