(1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine

C13H24N2O — CID 1378404

IUPAC(1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H24N2O/c1-2-12-9-11(1)10-13(12)14-3-4-15-5-7-16-8-6-15/h11-14H,1-10H2/t11-,12+,13+/m0/s1
InChIKeyOMPIQMHVMCZJSO-YNEHKIRRSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds4

About (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine

(1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 1378404) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID1378404
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H24N2O/c1-2-12-9-11(1)10-13(12)14-3-4-15-5-7-16-8-6-15/h11-14H,1-10H2/t11-,12+,13+/m0/s1
InChIKeyOMPIQMHVMCZJSO-YNEHKIRRSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (CID 1378404) is (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is C(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is OMPIQMHVMCZJSO-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-12-9-11(1)10-13(12)14-3-4-15-5-7-16-8-6-15/h11-14H,1-10H2/t11-,12+,13+/m0/s1.
What are the key properties of (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
(1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 1378404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).