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

C16H20N2 — CID 45113380

IUPAC(3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCC(C)[C@H]1CCc2c(nc3ccccc3c2N)C1
InChIInChI=1S/C16H20N2/c1-10(2)11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)16(13)17/h3-6,10-11H,7-9H2,1-2H3,(H2,17,18)/t11-/m0/s1
InChIKeyCDHPHGQRVWIALH-NSHDSACASA-N
MW240.35 g/mol
LogP3.58
Rot. Bonds1

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

(3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 45113380) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID45113380
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCC(C)[C@H]1CCc2c(nc3ccccc3c2N)C1
InChIInChI=1S/C16H20N2/c1-10(2)11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)16(13)17/h3-6,10-11H,7-9H2,1-2H3,(H2,17,18)/t11-/m0/s1
InChIKeyCDHPHGQRVWIALH-NSHDSACASA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of (3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine (CID 45113380) is (3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for (3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for (3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine is CC(C)[C@H]1CCc2c(nc3ccccc3c2N)C1.
What is the InChIKey of (3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is CDHPHGQRVWIALH-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2/c1-10(2)11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)16(13)17/h3-6,10-11H,7-9H2,1-2H3,(H2,17,18)/t11-/m0/s1.
What are the key properties of (3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine?
(3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 240.35 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 45113380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).