1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C13H24N2O — CID 115875875

IUPAC1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCc1cc(CNCC(C)(C)N(C)C)c(C)o1
InChIInChI=1S/C13H24N2O/c1-10-7-12(11(2)16-10)8-14-9-13(3,4)15(5)6/h7,14H,8-9H2,1-6H3
InChIKeyBKIBVFGKNKMWSR-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.33
Rot. Bonds5

About 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115875875) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115875875
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCc1cc(CNCC(C)(C)N(C)C)c(C)o1
InChIInChI=1S/C13H24N2O/c1-10-7-12(11(2)16-10)8-14-9-13(3,4)15(5)6/h7,14H,8-9H2,1-6H3
InChIKeyBKIBVFGKNKMWSR-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115876158
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115876307
methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 43231477
N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
1-N-[(2-bromo-4-chlorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 81494425
1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 60663982
1-N-[(5-bromofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28651868
N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine
CID 115876171
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115876700
4-[(2,5-dimethylfuran-3-yl)methylamino]butan-2-ol
CID 115876404
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 115875875) is 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is Cc1cc(CNCC(C)(C)N(C)C)c(C)o1.
What is the InChIKey of 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is BKIBVFGKNKMWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-7-12(11(2)16-10)8-14-9-13(3,4)15(5)6/h7,14H,8-9H2,1-6H3.
What are the key properties of 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115875875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).