1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine

C13H25N3O — CID 55225778

IUPAC1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine
SMILESCc1ccc(C(C(C)N)N(C)CCN(C)C)o1
InChIInChI=1S/C13H25N3O/c1-10-6-7-12(17-10)13(11(2)14)16(5)9-8-15(3)4/h6-7,11,13H,8-9,14H2,1-5H3
InChIKeyVOARFSZLGKNMSI-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.47
Rot. Bonds6

About 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine

1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine (PubChem CID 55225778) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine
PubChem CID55225778
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine
SMILESCc1ccc(C(C(C)N)N(C)CCN(C)C)o1
InChIInChI=1S/C13H25N3O/c1-10-6-7-12(17-10)13(11(2)14)16(5)9-8-15(3)4/h6-7,11,13H,8-9,14H2,1-5H3
InChIKeyVOARFSZLGKNMSI-UHFFFAOYSA-N
XLogP1.47
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine (CID 55225778) is 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine is Cc1ccc(C(C(C)N)N(C)CCN(C)C)o1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine?
The InChIKey is VOARFSZLGKNMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-6-7-12(17-10)13(11(2)14)16(5)9-8-15(3)4/h6-7,11,13H,8-9,14H2,1-5H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine has a molecular weight of 239.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine is sourced from PubChem (CID 55225778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).