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

C14H22N2O — CID 79093089

IUPAC3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)CC(N)CC1OCCc2ccccc21
InChIInChI=1S/C14H22N2O/c1-16(2)10-12(15)9-14-13-6-4-3-5-11(13)7-8-17-14/h3-6,12,14H,7-10,15H2,1-2H3
InChIKeyFHAFASMWMYMWCY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.58
Rot. Bonds4

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

3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 79093089) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID79093089
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)CC(N)CC1OCCc2ccccc21
InChIInChI=1S/C14H22N2O/c1-16(2)10-12(15)9-14-13-6-4-3-5-11(13)7-8-17-14/h3-6,12,14H,7-10,15H2,1-2H3
InChIKeyFHAFASMWMYMWCY-UHFFFAOYSA-N
XLogP1.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 114984419
1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 114984434
1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine
CID 65091802
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 114983702
1-cyclopentylsulfanyl-3-(3,4-dihydro-1H-isochromen-1-yl)propan-2-amine
CID 65138924
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylhexan-2-amine
CID 114983674
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 114983768
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,3-dimethylphenyl)ethanamine
CID 114983739
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 114983745
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 114983497
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine
CID 116716259
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)pentan-2-one
CID 79428811

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 79093089) is 3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CN(C)CC(N)CC1OCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is FHAFASMWMYMWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)10-12(15)9-14-13-6-4-3-5-11(13)7-8-17-14/h3-6,12,14H,7-10,15H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79093089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).