N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C13H24N2O — CID 61323901

IUPACN'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNCC(C)(C)C)c1ccco1
InChIInChI=1S/C13H24N2O/c1-13(2,3)10-14-9-11(15(4)5)12-7-6-8-16-12/h6-8,11,14H,9-10H2,1-5H3
InChIKeyZUBUVIXKJZMWLX-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.52
Rot. Bonds5

About N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 61323901) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID61323901
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNCC(C)(C)C)c1ccco1
InChIInChI=1S/C13H24N2O/c1-13(2,3)10-14-9-11(15(4)5)12-7-6-8-16-12/h6-8,11,14H,9-10H2,1-5H3
InChIKeyZUBUVIXKJZMWLX-UHFFFAOYSA-N
XLogP2.52
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 103953071
2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
CID 107471821
1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
CID 78829971
N'-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60658274
N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 55109777
N'-[(5-chloro-2-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 115761417
1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 62655967
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43183533

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 61323901) is N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CNCC(C)(C)C)c1ccco1.
What is the InChIKey of N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is ZUBUVIXKJZMWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)10-14-9-11(15(4)5)12-7-6-8-16-12/h6-8,11,14H,9-10H2,1-5H3.
What are the key properties of N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 61323901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).