(2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine

C17H23N2+ — CID 7333150

IUPAC(2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
SMILESCC(C)(C)[C@H]1CCc2[nH+]c3ccccc3c(N)c2C1
InChIInChI=1S/C17H22N2/c1-17(2,3)11-8-9-15-13(10-11)16(18)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H2,18,19)/p+1/t11-/m0/s1
InChIKeyDFHPXBMELNUPRG-NSHDSACASA-O
MW255.38 g/mol
LogP3.39
Rot. Bonds

About (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine

(2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine (PubChem CID 7333150) has the molecular formula C17H23N2+ and a molecular weight of 255.38 g/mol. Its IUPAC name is (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine.

Molecular Properties

Compound Name(2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
PubChem CID7333150
Molecular FormulaC17H23N2+
Molecular Weight255.38 g/mol
Exact Mass255.19
IUPAC Name(2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
SMILESCC(C)(C)[C@H]1CCc2[nH+]c3ccccc3c(N)c2C1
InChIInChI=1S/C17H22N2/c1-17(2,3)11-8-9-15-13(10-11)16(18)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H2,18,19)/p+1/t11-/m0/s1
InChIKeyDFHPXBMELNUPRG-NSHDSACASA-O
XLogP3.39
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine?
The IUPAC name of (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine (CID 7333150) is (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine.
What is the SMILES notation for (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine?
The canonical SMILES for (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine is CC(C)(C)[C@H]1CCc2[nH+]c3ccccc3c(N)c2C1.
What is the InChIKey of (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine?
The InChIKey is DFHPXBMELNUPRG-NSHDSACASA-O. The full InChI is InChI=1S/C17H22N2/c1-17(2,3)11-8-9-15-13(10-11)16(18)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H2,18,19)/p+1/t11-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine?
(2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine has a molecular weight of 255.38 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine is sourced from PubChem (CID 7333150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).