1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine

C17H24N2O — CID 62862357

IUPAC1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CC1CCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O/c1-18-15(12-19(2)11-13-6-5-7-13)17-10-14-8-3-4-9-16(14)20-17/h3-4,8-10,13,15,18H,5-7,11-12H2,1-2H3
InChIKeyRILGIEVASBGWCW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.43
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine

1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 62862357) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID62862357
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CC1CCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O/c1-18-15(12-19(2)11-13-6-5-7-13)17-10-14-8-3-4-9-16(14)20-17/h3-4,8-10,13,15,18H,5-7,11-12H2,1-2H3
InChIKeyRILGIEVASBGWCW-UHFFFAOYSA-N
XLogP3.43
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol
CID 63631810
1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 54884595
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine
CID 62860778
1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine
CID 64675092
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1,3-benzodioxol-5-yl)-N'-(cyclopentylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 63631410
1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695788
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine (CID 62862357) is 1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine is CNC(CN(C)CC1CCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is RILGIEVASBGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-15(12-19(2)11-13-6-5-7-13)17-10-14-8-3-4-9-16(14)20-17/h3-4,8-10,13,15,18H,5-7,11-12H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.43, 6 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'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62862357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).