(1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine

C19H26N2 — CID 45113508

IUPAC(1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESCC(C)[C@H]1CC[C@H](C(C)C)c2c1nc1ccccc1c2N
InChIInChI=1S/C19H26N2/c1-11(2)13-9-10-14(12(3)4)19-17(13)18(20)15-7-5-6-8-16(15)21-19/h5-8,11-14H,9-10H2,1-4H3,(H2,20,21)/t13-,14-/m1/s1
InChIKeyLGVDBJRQLJIUBB-ZIAGYGMSSA-N
MW282.43 g/mol
LogP5.09
Rot. Bonds2

About (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine

(1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 45113508) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name(1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID45113508
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESCC(C)[C@H]1CC[C@H](C(C)C)c2c1nc1ccccc1c2N
InChIInChI=1S/C19H26N2/c1-11(2)13-9-10-14(12(3)4)19-17(13)18(20)15-7-5-6-8-16(15)21-19/h5-8,11-14H,9-10H2,1-4H3,(H2,20,21)/t13-,14-/m1/s1
InChIKeyLGVDBJRQLJIUBB-ZIAGYGMSSA-N
XLogP5.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine (CID 45113508) is (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine is CC(C)[C@H]1CC[C@H](C(C)C)c2c1nc1ccccc1c2N.
What is the InChIKey of (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is LGVDBJRQLJIUBB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H26N2/c1-11(2)13-9-10-14(12(3)4)19-17(13)18(20)15-7-5-6-8-16(15)21-19/h5-8,11-14H,9-10H2,1-4H3,(H2,20,21)/t13-,14-/m1/s1.
What are the key properties of (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine?
(1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 282.43 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,4-di(propan-2-yl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 45113508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).