2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C16H24N2O — CID 80701303

IUPAC2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)NCc1coc2ccccc12
InChIInChI=1S/C16H24N2O/c1-12(2)15(10-18(3)4)17-9-13-11-19-16-8-6-5-7-14(13)16/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyQRYVQJJKFDYGJU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.11
Rot. Bonds6

About 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 80701303) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID80701303
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)NCc1coc2ccccc12
InChIInChI=1S/C16H24N2O/c1-12(2)15(10-18(3)4)17-9-13-11-19-16-8-6-5-7-14(13)16/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyQRYVQJJKFDYGJU-UHFFFAOYSA-N
XLogP3.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271001
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
CID 115750447
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 80701303) is 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)NCc1coc2ccccc12.
What is the InChIKey of 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is QRYVQJJKFDYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)15(10-18(3)4)17-9-13-11-19-16-8-6-5-7-14(13)16/h5-8,11-12,15,17H,9-10H2,1-4H3.
What are the key properties of 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 80701303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).