2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine

C11H20N2O — CID 103389665

IUPAC2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
SMILESCc1cc(C(C)NC(C)CN)c(C)o1
InChIInChI=1S/C11H20N2O/c1-7(6-12)13-9(3)11-5-8(2)14-10(11)4/h5,7,9,13H,6,12H2,1-4H3
InChIKeyGUORLMVZKOKZCQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.89
Rot. Bonds4

About 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine

2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine (PubChem CID 103389665) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
PubChem CID103389665
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
SMILESCc1cc(C(C)NC(C)CN)c(C)o1
InChIInChI=1S/C11H20N2O/c1-7(6-12)13-9(3)11-5-8(2)14-10(11)4/h5,7,9,13H,6,12H2,1-4H3
InChIKeyGUORLMVZKOKZCQ-UHFFFAOYSA-N
XLogP1.89
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64628955
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952768
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 63454886
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43121413
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706398
1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine
CID 79559973
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine (CID 103389665) is 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine is Cc1cc(C(C)NC(C)CN)c(C)o1.
What is the InChIKey of 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine?
The InChIKey is GUORLMVZKOKZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(6-12)13-9(3)11-5-8(2)14-10(11)4/h5,7,9,13H,6,12H2,1-4H3.
What are the key properties of 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine?
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 103389665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).