(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine

C16H24N2O2 — CID 9170054

IUPAC(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine
SMILESCCCN(CCC)[C@@H]1CNCc2cc3c(cc21)OCO3
InChIInChI=1S/C16H24N2O2/c1-3-5-18(6-4-2)14-10-17-9-12-7-15-16(8-13(12)14)20-11-19-15/h7-8,14,17H,3-6,9-11H2,1-2H3/t14-/m1/s1
InChIKeySOFIIUGMBYHZRO-CQSZACIVSA-N
MW276.38 g/mol
LogP2.68
Rot. Bonds5

About (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine

(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine (PubChem CID 9170054) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine
PubChem CID9170054
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine
SMILESCCCN(CCC)[C@@H]1CNCc2cc3c(cc21)OCO3
InChIInChI=1S/C16H24N2O2/c1-3-5-18(6-4-2)14-10-17-9-12-7-15-16(8-13(12)14)20-11-19-15/h7-8,14,17H,3-6,9-11H2,1-2H3/t14-/m1/s1
InChIKeySOFIIUGMBYHZRO-CQSZACIVSA-N
XLogP2.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine?
The IUPAC name of (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine (CID 9170054) is (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine.
What is the SMILES notation for (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine?
The canonical SMILES for (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine is CCCN(CCC)[C@@H]1CNCc2cc3c(cc21)OCO3.
What is the InChIKey of (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine?
The InChIKey is SOFIIUGMBYHZRO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-18(6-4-2)14-10-17-9-12-7-15-16(8-13(12)14)20-11-19-15/h7-8,14,17H,3-6,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine?
(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine has a molecular weight of 276.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine is sourced from PubChem (CID 9170054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).