[4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine

C12H22N2O — CID 114397967

IUPAC[4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine
SMILESNCC1CN(C2CC3CCC2C3)CCO1
InChIInChI=1S/C12H22N2O/c13-7-11-8-14(3-4-15-11)12-6-9-1-2-10(12)5-9/h9-12H,1-8,13H2
InChIKeyLXFVJKDMSJGZOH-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.83
Rot. Bonds2

About [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine

[4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine (PubChem CID 114397967) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine
PubChem CID114397967
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine
SMILESNCC1CN(C2CC3CCC2C3)CCO1
InChIInChI=1S/C12H22N2O/c13-7-11-8-14(3-4-15-11)12-6-9-1-2-10(12)5-9/h9-12H,1-8,13H2
InChIKeyLXFVJKDMSJGZOH-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine (CID 114397967) is [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine is NCC1CN(C2CC3CCC2C3)CCO1.
What is the InChIKey of [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine?
The InChIKey is LXFVJKDMSJGZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-7-11-8-14(3-4-15-11)12-6-9-1-2-10(12)5-9/h9-12H,1-8,13H2.
What are the key properties of [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine?
[4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine has a molecular weight of 210.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114397967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).