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

C14H20N2O — CID 115199967

IUPACN'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-14(2,9-15)10-16(3)12-8-17-13-7-5-4-6-11(12)13/h4-8H,9-10,15H2,1-3H3
InChIKeyLQCBCQPQYDCUGX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.85
Rot. Bonds4

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

N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 115199967) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID115199967
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-14(2,9-15)10-16(3)12-8-17-13-7-5-4-6-11(12)13/h4-8H,9-10,15H2,1-3H3
InChIKeyLQCBCQPQYDCUGX-UHFFFAOYSA-N
XLogP2.85
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
CID 115199863
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
3-(1-benzofuran-3-ylsulfonyl)-2,2-dimethylpropan-1-amine
CID 116853181
N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine
CID 79660068
2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252002
5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
CID 115236413
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
3-[1-benzofuran-3-yl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164001
1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 146642264

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine (CID 115199967) is N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine is CN(CC(C)(C)CN)c1coc2ccccc12.
What is the InChIKey of N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is LQCBCQPQYDCUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,9-15)10-16(3)12-8-17-13-7-5-4-6-11(12)13/h4-8H,9-10,15H2,1-3H3.
What are the key properties of N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115199967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).