N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

C10H18N2O — CID 43526366

IUPACN,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1ccc(C)o1
InChIInChI=1S/C10H18N2O/c1-9-4-5-10(13-9)8-12(3)7-6-11-2/h4-5,11H,6-8H2,1-3H3
InChIKeyPQFHZQVOWFPFOJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.24
Rot. Bonds5

About N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 43526366) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID43526366
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1ccc(C)o1
InChIInChI=1S/C10H18N2O/c1-9-4-5-10(13-9)8-12(3)7-6-11-2/h4-5,11H,6-8H2,1-3H3
InChIKeyPQFHZQVOWFPFOJ-UHFFFAOYSA-N
XLogP1.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 62559098
N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 62559645
N-butan-2-yl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 60852866
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
N-(dicyclopropylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55089797
N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208
N-(3-fluorophenyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560027
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
N-methyl-1-[3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62421902
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 61396861

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (CID 43526366) is N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is CNCCN(C)Cc1ccc(C)o1.
What is the InChIKey of N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is PQFHZQVOWFPFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9-4-5-10(13-9)8-12(3)7-6-11-2/h4-5,11H,6-8H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 43526366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).