4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine

C16H21N3O2 — CID 106543511

IUPAC4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine
SMILESCC(N)CC(C)Nc1nccc2cc3c(cc12)OCCO3
InChIInChI=1S/C16H21N3O2/c1-10(17)7-11(2)19-16-13-9-15-14(20-5-6-21-15)8-12(13)3-4-18-16/h3-4,8-11H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyIIVCVHKXURSZAT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds4

About 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine

4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine (PubChem CID 106543511) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine
PubChem CID106543511
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine
SMILESCC(N)CC(C)Nc1nccc2cc3c(cc12)OCCO3
InChIInChI=1S/C16H21N3O2/c1-10(17)7-11(2)19-16-13-9-15-14(20-5-6-21-15)8-12(13)3-4-18-16/h3-4,8-11H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyIIVCVHKXURSZAT-UHFFFAOYSA-N
XLogP2.54
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine with MolForge

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Related Compounds

N-pentan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106537238
N-(5-chloropentan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106542823
N-pent-4-en-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106539518
N-(4-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106538917
N-but-3-yn-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106539941
4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine
CID 106543461
1-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)butane-1,2-diamine
CID 106540632
N-(4-bromo-3-methylbutan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543100
N-(1-cyclopropylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537549
N-[1-(aminomethyl)cyclopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106543585
2-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-N-methylpropane-1,2-diamine
CID 106543522
N-pent-1-yn-3-yl-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106231129

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine (CID 106543511) is 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine is CC(N)CC(C)Nc1nccc2cc3c(cc12)OCCO3.
What is the InChIKey of 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine?
The InChIKey is IIVCVHKXURSZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(17)7-11(2)19-16-13-9-15-14(20-5-6-21-15)8-12(13)3-4-18-16/h3-4,8-11H,5-7,17H2,1-2H3,(H,18,19).
What are the key properties of 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine?
4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine has a molecular weight of 287.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine is sourced from PubChem (CID 106543511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).