N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C16H22N2S — CID 62573937

IUPACN'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)Cc1ccccc1)c1cccs1
InChIInChI=1S/C16H22N2S/c1-14(16-9-6-12-19-16)17-10-11-18(2)13-15-7-4-3-5-8-15/h3-9,12,14,17H,10-11,13H2,1-2H3
InChIKeyKEYQVVQZOBVRFA-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.53
Rot. Bonds7

About N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 62573937) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID62573937
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)Cc1ccccc1)c1cccs1
InChIInChI=1S/C16H22N2S/c1-14(16-9-6-12-19-16)17-10-11-18(2)13-15-7-4-3-5-8-15/h3-9,12,14,17H,10-11,13H2,1-2H3
InChIKeyKEYQVVQZOBVRFA-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
N'-(furan-2-ylmethyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62560949
N'-methyl-N-(1-thiophen-2-ylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62561217
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557588
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine
CID 130863316
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
N'-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 43760716
N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63705847
N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
CID 97230507

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 62573937) is N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CC(NCCN(C)Cc1ccccc1)c1cccs1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is KEYQVVQZOBVRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-14(16-9-6-12-19-16)17-10-11-18(2)13-15-7-4-3-5-8-15/h3-9,12,14,17H,10-11,13H2,1-2H3.
What are the key properties of N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62573937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).