(3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine

C24H26N2O — CID 52951849

IUPAC(3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine
SMILESc1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccncc3)CO2)cc1
InChIInChI=1S/C24H26N2O/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)23-12-11-22(18-27-23)26-17-19-13-15-25-16-14-19/h1-10,13-16,22-24,26H,11-12,17-18H2/t22-,23-/m0/s1
InChIKeyKGHAHWPNNYYHEX-GOTSBHOMSA-N
MW358.49 g/mol
LogP4.55
Rot. Bonds6

About (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine

(3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine (PubChem CID 52951849) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine
PubChem CID52951849
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name(3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine
SMILESc1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccncc3)CO2)cc1
InChIInChI=1S/C24H26N2O/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)23-12-11-22(18-27-23)26-17-19-13-15-25-16-14-19/h1-10,13-16,22-24,26H,11-12,17-18H2/t22-,23-/m0/s1
InChIKeyKGHAHWPNNYYHEX-GOTSBHOMSA-N
XLogP4.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine?
The IUPAC name of (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine (CID 52951849) is (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine.
What is the SMILES notation for (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine?
The canonical SMILES for (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine is c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccncc3)CO2)cc1.
What is the InChIKey of (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine?
The InChIKey is KGHAHWPNNYYHEX-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)23-12-11-22(18-27-23)26-17-19-13-15-25-16-14-19/h1-10,13-16,22-24,26H,11-12,17-18H2/t22-,23-/m0/s1.
What are the key properties of (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine?
(3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine has a molecular weight of 358.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-benzhydryl-N-(pyridin-4-ylmethyl)oxan-3-amine is sourced from PubChem (CID 52951849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).