1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine

C14H22N2O — CID 116948587

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCC(NC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H22N2O/c1-15-8-7-13(16-2)11-5-6-14-12(10-11)4-3-9-17-14/h5-6,10,13,15-16H,3-4,7-9H2,1-2H3
InChIKeyTZSORUIKQQHMSI-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.88
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine

1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 116948587) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID116948587
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCC(NC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H22N2O/c1-15-8-7-13(16-2)11-5-6-14-12(10-11)4-3-9-17-14/h5-6,10,13,15-16H,3-4,7-9H2,1-2H3
InChIKeyTZSORUIKQQHMSI-UHFFFAOYSA-N
XLogP1.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207451
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61026966
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(methylamino)butane-1,2-diol
CID 171890368
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 63502032
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
CID 63503929

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine (CID 116948587) is 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine is CNCCC(NC)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is TZSORUIKQQHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-8-7-13(16-2)11-5-6-14-12(10-11)4-3-9-17-14/h5-6,10,13,15-16H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine?
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116948587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).