N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine

C15H17N3O2 — CID 106543337

IUPACN'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine
SMILESNCCN(c1nccc2cc3c(cc12)OCO3)C1CC1
InChIInChI=1S/C15H17N3O2/c16-4-6-18(11-1-2-11)15-12-8-14-13(19-9-20-14)7-10(12)3-5-17-15/h3,5,7-8,11H,1-2,4,6,9,16H2
InChIKeyAASXIDNAJDOCDG-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.89
Rot. Bonds4

About N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine (PubChem CID 106543337) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine
PubChem CID106543337
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine
SMILESNCCN(c1nccc2cc3c(cc12)OCO3)C1CC1
InChIInChI=1S/C15H17N3O2/c16-4-6-18(11-1-2-11)15-12-8-14-13(19-9-20-14)7-10(12)3-5-17-15/h3,5,7-8,11H,1-2,4,6,9,16H2
InChIKeyAASXIDNAJDOCDG-UHFFFAOYSA-N
XLogP1.89
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine with MolForge

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Related Compounds

2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol
CID 106541360
2-[cyclopropyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]acetic acid
CID 106536005
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106536534
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 106540875
2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
CID 106541393
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propane-1,3-diamine
CID 82571318
2-[butyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]ethanol
CID 106541427
N'-cyclopentyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 62587639
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459
3-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(propan-2-yl)amino]propanenitrile
CID 106536648
1-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 106543345
N'-cyclopropyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104734227

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine (CID 106543337) is N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine is NCCN(c1nccc2cc3c(cc12)OCO3)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine?
The InChIKey is AASXIDNAJDOCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-4-6-18(11-1-2-11)15-12-8-14-13(19-9-20-14)7-10(12)3-5-17-15/h3,5,7-8,11H,1-2,4,6,9,16H2.
What are the key properties of N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine has a molecular weight of 271.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 106543337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).