(5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine

C20H31N3O2 — CID 164630891

IUPAC(5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine
SMILESc1cnc(N2CCOCC2)c(CN[C@H]2CCOCC23CCCCC3)c1
InChIInChI=1S/C20H31N3O2/c1-2-7-20(8-3-1)16-25-12-6-18(20)22-15-17-5-4-9-21-19(17)23-10-13-24-14-11-23/h4-5,9,18,22H,1-3,6-8,10-16H2/t18-/m0/s1
InChIKeyOJPATIQJHWSTIS-SFHVURJKSA-N
MW345.49 g/mol
LogP2.75
Rot. Bonds4

About (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine

(5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine (PubChem CID 164630891) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine.

Molecular Properties

Compound Name(5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine
PubChem CID164630891
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine
SMILESc1cnc(N2CCOCC2)c(CN[C@H]2CCOCC23CCCCC3)c1
InChIInChI=1S/C20H31N3O2/c1-2-7-20(8-3-1)16-25-12-6-18(20)22-15-17-5-4-9-21-19(17)23-10-13-24-14-11-23/h4-5,9,18,22H,1-3,6-8,10-16H2/t18-/m0/s1
InChIKeyOJPATIQJHWSTIS-SFHVURJKSA-N
XLogP2.75
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine?
The IUPAC name of (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine (CID 164630891) is (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine.
What is the SMILES notation for (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine?
The canonical SMILES for (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine is c1cnc(N2CCOCC2)c(CN[C@H]2CCOCC23CCCCC3)c1.
What is the InChIKey of (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine?
The InChIKey is OJPATIQJHWSTIS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-7-20(8-3-1)16-25-12-6-18(20)22-15-17-5-4-9-21-19(17)23-10-13-24-14-11-23/h4-5,9,18,22H,1-3,6-8,10-16H2/t18-/m0/s1.
What are the key properties of (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine?
(5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine has a molecular weight of 345.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxaspiro[5.5]undecan-5-amine is sourced from PubChem (CID 164630891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).