2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C26H38N2O2 — CID 19023975

IUPAC2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1cc(C)nc(N(CCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC(C)C)c1
InChIInChI=1S/C26H38N2O2/c1-16(2)15-28(23-14-17(3)13-18(4)27-23)12-11-26(8)10-9-22-21(7)24(29)19(5)20(6)25(22)30-26/h13-14,16,29H,9-12,15H2,1-8H3
InChIKeyCOEGPPGFNLUZLO-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.97
Rot. Bonds6

About 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 19023975) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID19023975
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1cc(C)nc(N(CCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC(C)C)c1
InChIInChI=1S/C26H38N2O2/c1-16(2)15-28(23-14-17(3)13-18(4)27-23)12-11-26(8)10-9-22-21(7)24(29)19(5)20(6)25(22)30-26/h13-14,16,29H,9-12,15H2,1-8H3
InChIKeyCOEGPPGFNLUZLO-UHFFFAOYSA-N
XLogP5.97
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 19023975) is 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is Cc1cc(C)nc(N(CCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC(C)C)c1.
What is the InChIKey of 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is COEGPPGFNLUZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-16(2)15-28(23-14-17(3)13-18(4)27-23)12-11-26(8)10-9-22-21(7)24(29)19(5)20(6)25(22)30-26/h13-14,16,29H,9-12,15H2,1-8H3.
What are the key properties of 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 410.60 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 19023975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).