1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine

C11H22N2O — CID 102651881

IUPAC1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)C1=CCCO1
InChIInChI=1S/C11H22N2O/c1-4-7-12-10(9-13(2)3)11-6-5-8-14-11/h6,10,12H,4-5,7-9H2,1-3H3
InChIKeyGPAZELCKKKGPHW-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.22
Rot. Bonds6

About 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine

1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine (PubChem CID 102651881) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
PubChem CID102651881
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)C1=CCCO1
InChIInChI=1S/C11H22N2O/c1-4-7-12-10(9-13(2)3)11-6-5-8-14-11/h6,10,12H,4-5,7-9H2,1-3H3
InChIKeyGPAZELCKKKGPHW-UHFFFAOYSA-N
XLogP1.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
CID 102653741
N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 102651437
N-[1-(2,3-dihydrofuran-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102652133
N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine
CID 102651394
N-[1-(2,3-dihydrofuran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559989
1-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651857
N-[1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 102651341
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
1-(2,3-dihydrofuran-5-yl)-2-methoxy-N-propylpropan-1-amine
CID 102651913
N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
CID 102653283
1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
CID 102649291
N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 102653179

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine (CID 102651881) is 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine is CCCNC(CN(C)C)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The InChIKey is GPAZELCKKKGPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7-12-10(9-13(2)3)11-6-5-8-14-11/h6,10,12H,4-5,7-9H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 102651881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).