1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine

C17H24N2O — CID 43541045

IUPAC1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine
SMILESCCN(CC(N)c1cc2ccccc2o1)C1CCCC1
InChIInChI=1S/C17H24N2O/c1-2-19(14-8-4-5-9-14)12-15(18)17-11-13-7-3-6-10-16(13)20-17/h3,6-7,10-11,14-15H,2,4-5,8-9,12,18H2,1H3
InChIKeyQXILSCQHLLEWHO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.70
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine

1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine (PubChem CID 43541045) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine
PubChem CID43541045
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine
SMILESCCN(CC(N)c1cc2ccccc2o1)C1CCCC1
InChIInChI=1S/C17H24N2O/c1-2-19(14-8-4-5-9-14)12-15(18)17-11-13-7-3-6-10-16(13)20-17/h3,6-7,10-11,14-15H,2,4-5,8-9,12,18H2,1H3
InChIKeyQXILSCQHLLEWHO-UHFFFAOYSA-N
XLogP3.70
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 54884595
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
1-(1-benzofuran-2-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266458
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 63090070
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol
CID 63631810

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine (CID 43541045) is 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine is CCN(CC(N)c1cc2ccccc2o1)C1CCCC1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine?
The InChIKey is QXILSCQHLLEWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-19(14-8-4-5-9-14)12-15(18)17-11-13-7-3-6-10-16(13)20-17/h3,6-7,10-11,14-15H,2,4-5,8-9,12,18H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 43541045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).