2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine

C13H24N2O — CID 115714157

IUPAC2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
SMILESCCC(CNC(C)c1ccc(C)o1)N(C)C
InChIInChI=1S/C13H24N2O/c1-6-12(15(4)5)9-14-11(3)13-8-7-10(2)16-13/h7-8,11-12,14H,6,9H2,1-5H3
InChIKeyXXLCGFGPXJZWBZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.58
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine

2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine (PubChem CID 115714157) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
PubChem CID115714157
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
SMILESCCC(CNC(C)c1ccc(C)o1)N(C)C
InChIInChI=1S/C13H24N2O/c1-6-12(15(4)5)9-14-11(3)13-8-7-10(2)16-13/h7-8,11-12,14H,6,9H2,1-5H3
InChIKeyXXLCGFGPXJZWBZ-UHFFFAOYSA-N
XLogP2.58
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43201795
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
CID 43684897
2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 60815401
N,N-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 145352645
4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
CID 115714813
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 115714105
1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717072
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 116905952

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine (CID 115714157) is 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine is CCC(CNC(C)c1ccc(C)o1)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine?
The InChIKey is XXLCGFGPXJZWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-12(15(4)5)9-14-11(3)13-8-7-10(2)16-13/h7-8,11-12,14H,6,9H2,1-5H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine is sourced from PubChem (CID 115714157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).