N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine

C17H20N2O2 — CID 106538685

IUPACN-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
SMILESCC(Nc1nccc2cc3c(cc12)OCO3)C1CCCC1
InChIInChI=1S/C17H20N2O2/c1-11(12-4-2-3-5-12)19-17-14-9-16-15(20-10-21-16)8-13(14)6-7-18-17/h6-9,11-12H,2-5,10H2,1H3,(H,18,19)
InChIKeyMJEXZYHMXAGLLX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.95
Rot. Bonds3

About N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine

N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine (PubChem CID 106538685) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
PubChem CID106538685
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
SMILESCC(Nc1nccc2cc3c(cc12)OCO3)C1CCCC1
InChIInChI=1S/C17H20N2O2/c1-11(12-4-2-3-5-12)19-17-14-9-16-15(20-10-21-16)8-13(14)6-7-18-17/h6-9,11-12H,2-5,10H2,1H3,(H,18,19)
InChIKeyMJEXZYHMXAGLLX-UHFFFAOYSA-N
XLogP3.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537549
1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
N-(4-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106538917
4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine
CID 106543461
N-pent-1-yn-3-yl-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106231129
N-(2-chloro-2-cyclopropylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106542769
N-but-3-yn-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106539941
1-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)cyclobutane-1,3-diamine
CID 106540364
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-methylpropane-1,3-diamine
CID 106543385
N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
CID 106537555
N-pentan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106537238
4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine
CID 106543511

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine?
The IUPAC name of N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine (CID 106538685) is N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine is CC(Nc1nccc2cc3c(cc12)OCO3)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine?
The InChIKey is MJEXZYHMXAGLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(12-4-2-3-5-12)19-17-14-9-16-15(20-10-21-16)8-13(14)6-7-18-17/h6-9,11-12H,2-5,10H2,1H3,(H,18,19).
What are the key properties of N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine?
N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine has a molecular weight of 284.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine is sourced from PubChem (CID 106538685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).