N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine

C13H24N2O — CID 116960370

IUPACN,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(NC)c1ccc(C)o1
InChIInChI=1S/C13H24N2O/c1-9(2)11(8-14-4)13(15-5)12-7-6-10(3)16-12/h6-7,9,11,13-15H,8H2,1-5H3
InChIKeyDGBRFMOBTJGOMA-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.34
Rot. Bonds6

About N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine

N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116960370) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116960370
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(NC)c1ccc(C)o1
InChIInChI=1S/C13H24N2O/c1-9(2)11(8-14-4)13(15-5)12-7-6-10(3)16-12/h6-7,9,11,13-15H,8H2,1-5H3
InChIKeyDGBRFMOBTJGOMA-UHFFFAOYSA-N
XLogP2.34
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960297
2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116960840
N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116960352
2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116957574
N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
CID 116960365
1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960347
2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116948630
1-(2,3-dihydro-1H-inden-5-yl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960337
N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116949510
N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 116905952
N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480502

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine (CID 116960370) is N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine is CNCC(C(C)C)C(NC)c1ccc(C)o1.
What is the InChIKey of N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is DGBRFMOBTJGOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(2)11(8-14-4)13(15-5)12-7-6-10(3)16-12/h6-7,9,11,13-15H,8H2,1-5H3.
What are the key properties of N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine?
N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116960370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).