N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine

C13H20N2O — CID 107149958

IUPACN'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1COCc2ccccc21
InChIInChI=1S/C13H20N2O/c1-14-7-8-15(2)13-10-16-9-11-5-3-4-6-12(11)13/h3-6,13-14H,7-10H2,1-2H3
InChIKeyFZFGKLMGRBUGJO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.41
Rot. Bonds4

About N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine

N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 107149958) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID107149958
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1COCc2ccccc21
InChIInChI=1S/C13H20N2O/c1-14-7-8-15(2)13-10-16-9-11-5-3-4-6-12(11)13/h3-6,13-14H,7-10H2,1-2H3
InChIKeyFZFGKLMGRBUGJO-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine (CID 107149958) is N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)C1COCc2ccccc21.
What is the InChIKey of N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is FZFGKLMGRBUGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-7-8-15(2)13-10-16-9-11-5-3-4-6-12(11)13/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 107149958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).