N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine

C15H22N2O — CID 115202069

IUPACN'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)Cc1coc2ccccc12
InChIInChI=1S/C15H22N2O/c1-16-9-5-6-10-17(2)11-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3
InChIKeyHRKDSSNOOZDHBU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.86
Rot. Bonds7

About N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine

N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 115202069) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID115202069
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)Cc1coc2ccccc12
InChIInChI=1S/C15H22N2O/c1-16-9-5-6-10-17(2)11-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3
InChIKeyHRKDSSNOOZDHBU-UHFFFAOYSA-N
XLogP2.86
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
CID 61424069
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252165
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 80702164
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine (CID 115202069) is N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)Cc1coc2ccccc12.
What is the InChIKey of N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is HRKDSSNOOZDHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-9-5-6-10-17(2)11-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3.
What are the key properties of N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine?
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 246.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).