N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine

C17H26N2O — CID 30734803

IUPACN'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)Cc1cc2ccccc2o1
InChIInChI=1S/C17H26N2O/c1-4-18(5-2)11-12-19(6-3)14-16-13-15-9-7-8-10-17(15)20-16/h7-10,13H,4-6,11-12,14H2,1-3H3
InChIKeyKFGSQOJFTJKOLL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.60
Rot. Bonds8

About N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine

N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine (PubChem CID 30734803) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
PubChem CID30734803
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)Cc1cc2ccccc2o1
InChIInChI=1S/C17H26N2O/c1-4-18(5-2)11-12-19(6-3)14-16-13-15-9-7-8-10-17(15)20-16/h7-10,13H,4-6,11-12,14H2,1-3H3
InChIKeyKFGSQOJFTJKOLL-UHFFFAOYSA-N
XLogP3.60
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine?
The IUPAC name of N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine (CID 30734803) is N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine.
What is the SMILES notation for N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine?
The canonical SMILES for N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine is CCN(CC)CCN(CC)Cc1cc2ccccc2o1.
What is the InChIKey of N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine?
The InChIKey is KFGSQOJFTJKOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-18(5-2)11-12-19(6-3)14-16-13-15-9-7-8-10-17(15)20-16/h7-10,13H,4-6,11-12,14H2,1-3H3.
What are the key properties of N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine?
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine is sourced from PubChem (CID 30734803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).