N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine

C13H18N2O — CID 115199863

IUPACN'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNc1coc2ccccc12
InChIInChI=1S/C13H18N2O/c1-13(2,8-14)9-15-11-7-16-12-6-4-3-5-10(11)12/h3-7,15H,8-9,14H2,1-2H3
InChIKeyYKYGCYFVPBLFBI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.83
Rot. Bonds4

About N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine

N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 115199863) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
PubChem CID115199863
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNc1coc2ccccc12
InChIInChI=1S/C13H18N2O/c1-13(2,8-14)9-15-11-7-16-12-6-4-3-5-10(11)12/h3-7,15H,8-9,14H2,1-2H3
InChIKeyYKYGCYFVPBLFBI-UHFFFAOYSA-N
XLogP2.83
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine
CID 116853181
N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
N-(1-benzofuran-3-yl)-1-benzofuran-3-amine
CID 53410322
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204462
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
N-[(4-aminocyclohexyl)methyl]-1-benzofuran-3-amine
CID 115213357
2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
CID 115151866
N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine
CID 115230477
[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
CID 115168850
1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905700
tert-butyl 2-(1-benzofuran-3-ylamino)-2-oxoacetate
CID 115141648
N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine
CID 115208111

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine (CID 115199863) is N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine is CC(C)(CN)CNc1coc2ccccc12.
What is the InChIKey of N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is YKYGCYFVPBLFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,8-14)9-15-11-7-16-12-6-4-3-5-10(11)12/h3-7,15H,8-9,14H2,1-2H3.
What are the key properties of N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine?
N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 218.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115199863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).