(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine

C11H20N2O — CID 122164350

IUPAC(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine
SMILESN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2
InChIInChI=1S/C11H20N2O/c12-9-8-10(11(9)2-1-3-11)13-4-6-14-7-5-13/h9-10H,1-8,12H2/t9-,10-/m1/s1
InChIKeyPAGKXEYJDCSJNN-NXEZZACHSA-N
MW196.29 g/mol
LogP0.59
Rot. Bonds1

About (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine

(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine (PubChem CID 122164350) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine
PubChem CID122164350
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine
SMILESN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2
InChIInChI=1S/C11H20N2O/c12-9-8-10(11(9)2-1-3-11)13-4-6-14-7-5-13/h9-10H,1-8,12H2/t9-,10-/m1/s1
InChIKeyPAGKXEYJDCSJNN-NXEZZACHSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine?
The IUPAC name of (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine (CID 122164350) is (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine.
What is the SMILES notation for (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine?
The canonical SMILES for (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine is N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2.
What is the InChIKey of (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine?
The InChIKey is PAGKXEYJDCSJNN-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20N2O/c12-9-8-10(11(9)2-1-3-11)13-4-6-14-7-5-13/h9-10H,1-8,12H2/t9-,10-/m1/s1.
What are the key properties of (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine?
(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-amine is sourced from PubChem (CID 122164350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).