N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine

C12H18N2O — CID 62559098

IUPACN'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)Cc1ccc(C)o1
InChIInChI=1S/C12H18N2O/c1-4-7-13-8-9-14(3)10-12-6-5-11(2)15-12/h1,5-6,13H,7-10H2,2-3H3
InChIKeyMPAJQMYBBYJXRY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.24
Rot. Bonds6

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

N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine (PubChem CID 62559098) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
PubChem CID62559098
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)Cc1ccc(C)o1
InChIInChI=1S/C12H18N2O/c1-4-7-13-8-9-14(3)10-12-6-5-11(2)15-12/h1,5-6,13H,7-10H2,2-3H3
InChIKeyMPAJQMYBBYJXRY-UHFFFAOYSA-N
XLogP1.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 62559645
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164
N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287585
N-(dicyclopropylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55089797
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-(3-fluorophenyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560027
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
CID 63655471
N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 106684730

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine (CID 62559098) is N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine is C#CCNCCN(C)Cc1ccc(C)o1.
What is the InChIKey of N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is MPAJQMYBBYJXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-7-13-8-9-14(3)10-12-6-5-11(2)15-12/h1,5-6,13H,7-10H2,2-3H3.
What are the key properties of N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine?
N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 62559098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).