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

C13H24N2O — CID 115876158

IUPAC1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CNCc1cc(C)oc1C)N(C)C
InChIInChI=1S/C13H24N2O/c1-6-13(15(4)5)9-14-8-12-7-10(2)16-11(12)3/h7,13-14H,6,8-9H2,1-5H3
InChIKeyOBFLZWQPFVQOIT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.33
Rot. Bonds6

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

1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 115876158) 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-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine
PubChem CID115876158
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CNCc1cc(C)oc1C)N(C)C
InChIInChI=1S/C13H24N2O/c1-6-13(15(4)5)9-14-8-12-7-10(2)16-11(12)3/h7,13-14H,6,8-9H2,1-5H3
InChIKeyOBFLZWQPFVQOIT-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 115595839
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115875875
2-N,2-N-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 115595821
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115876307
4-[(2,5-dimethylfuran-3-yl)methylamino]butan-2-ol
CID 115876404
1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115876698
2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine
CID 115732191
N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
N-[(2,5-dimethylfuran-3-yl)methyl]-1-methoxybutan-2-amine
CID 115876526
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 115876546
1-N-[(3-fluorophenyl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine;hydrochloride
CID 115595836

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine (CID 115876158) is 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine is CCC(CNCc1cc(C)oc1C)N(C)C.
What is the InChIKey of 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is OBFLZWQPFVQOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-13(15(4)5)9-14-8-12-7-10(2)16-11(12)3/h7,13-14H,6,8-9H2,1-5H3.
What are the key properties of 1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine?
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.33, 6 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-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115876158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).