1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

C42H64N2O2 — CID 70251682

IUPAC1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C29H50O2.C13H14N2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h20-22,30H,9-19H2,1-8H3;1,3,5,7H,2,4,6,8H2,(H2,14,15)/t21-,22-,29-;/m1./s1
InChIKeyDNTJBIDYFJIUGI-WTCAIEHQSA-N
MW628.99 g/mol
LogP11.54
Rot. Bonds12

About 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol (PubChem CID 70251682) has the molecular formula C42H64N2O2 and a molecular weight of 628.99 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
PubChem CID70251682
Molecular FormulaC42H64N2O2
Molecular Weight628.99 g/mol
Exact Mass628.50
IUPAC Name1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C29H50O2.C13H14N2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h20-22,30H,9-19H2,1-8H3;1,3,5,7H,2,4,6,8H2,(H2,14,15)/t21-,22-,29-;/m1./s1
InChIKeyDNTJBIDYFJIUGI-WTCAIEHQSA-N
XLogP11.54
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.99
LogP ≤ 511.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol (CID 70251682) is 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.Nc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
The InChIKey is DNTJBIDYFJIUGI-WTCAIEHQSA-N. The full InChI is InChI=1S/C29H50O2.C13H14N2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h20-22,30H,9-19H2,1-8H3;1,3,5,7H,2,4,6,8H2,(H2,14,15)/t21-,22-,29-;/m1./s1.
What are the key properties of 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol?
1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol has a molecular weight of 628.99 g/mol, XLogP of 11.54, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 70251682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).