N'-methyl-1-thiophen-2-ylethane-1,2-diamine

C7H12N2S — CID 115287726

IUPACN'-methyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCNCC(N)c1cccs1
InChIInChI=1S/C7H12N2S/c1-9-5-6(8)7-3-2-4-10-7/h2-4,6,9H,5,8H2,1H3
InChIKeyJSDQGLXRZLOAHE-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.97
Rot. Bonds3

About N'-methyl-1-thiophen-2-ylethane-1,2-diamine

N'-methyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 115287726) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N'-methyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID115287726
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN'-methyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCNCC(N)c1cccs1
InChIInChI=1S/C7H12N2S/c1-9-5-6(8)7-3-2-4-10-7/h2-4,6,9H,5,8H2,1H3
InChIKeyJSDQGLXRZLOAHE-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
3-(methylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240343
N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine
CID 102913382
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287823
N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287820
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
3-amino-N',N'-dimethyl-3-thiophen-2-ylpropanehydrazide
CID 116849992
3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-1-thiophen-2-ylethane-1,2-diamine (CID 115287726) is N'-methyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-thiophen-2-ylethane-1,2-diamine is CNCC(N)c1cccs1.
What is the InChIKey of N'-methyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is JSDQGLXRZLOAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-9-5-6(8)7-3-2-4-10-7/h2-4,6,9H,5,8H2,1H3.
What are the key properties of N'-methyl-1-thiophen-2-ylethane-1,2-diamine?
N'-methyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 156.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 115287726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).