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

C16H21N3O2 — CID 106536534

IUPACN'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C16H21N3O2/c1-11(2)19(7-3-5-17)16-13-9-15-14(20-10-21-15)8-12(13)4-6-18-16/h4,6,8-9,11H,3,5,7,10,17H2,1-2H3
InChIKeyZANMNGDVWMKOPZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.53
Rot. Bonds5

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

N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106536534) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106536534
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C16H21N3O2/c1-11(2)19(7-3-5-17)16-13-9-15-14(20-10-21-15)8-12(13)4-6-18-16/h4,6,8-9,11H,3,5,7,10,17H2,1-2H3
InChIKeyZANMNGDVWMKOPZ-UHFFFAOYSA-N
XLogP2.53
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(propan-2-yl)amino]propanenitrile
CID 106536648
N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine
CID 106543337
4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine
CID 106543461
2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
CID 106541393
2-[butyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]ethanol
CID 106541427
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 106540875
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propane-1,3-diamine
CID 82571318
2-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-N-methylpropane-1,2-diamine
CID 106543522
1-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 106543345
1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol
CID 106541399
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-methylpropane-1,3-diamine
CID 106543385
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529

Frequently Asked Questions

What is the IUPAC name of N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine (CID 106536534) is N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)c1nccc2cc3c(cc12)OCO3.
What is the InChIKey of N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is ZANMNGDVWMKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)19(7-3-5-17)16-13-9-15-14(20-10-21-15)8-12(13)4-6-18-16/h4,6,8-9,11H,3,5,7,10,17H2,1-2H3.
What are the key properties of N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine?
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 287.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106536534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).