1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine

C15H24N2O — CID 129005255

IUPAC1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CNCc1ccncc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14-13(6-9-18-14)11-17-10-12-4-7-16-8-5-12/h4-5,7-8,13-14,17H,6,9-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyBKLGPJHTCVKEFH-KGLIPLIRSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds4

About 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine

1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 129005255) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID129005255
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CNCc1ccncc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14-13(6-9-18-14)11-17-10-12-4-7-16-8-5-12/h4-5,7-8,13-14,17H,6,9-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyBKLGPJHTCVKEFH-KGLIPLIRSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine (CID 129005255) is 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine is CC(C)(C)[C@H]1OCC[C@@H]1CNCc1ccncc1.
What is the InChIKey of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is BKLGPJHTCVKEFH-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)14-13(6-9-18-14)11-17-10-12-4-7-16-8-5-12/h4-5,7-8,13-14,17H,6,9-11H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine?
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 129005255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).