N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

C8H14N2S — CID 116932549

IUPACN'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCNCC(N)c1sccc1C
InChIInChI=1S/C8H14N2S/c1-6-3-4-11-8(6)7(9)5-10-2/h3-4,7,10H,5,9H2,1-2H3
InChIKeyCLZKFNAKCQWXQN-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.28
Rot. Bonds3

About N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 116932549) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID116932549
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCNCC(N)c1sccc1C
InChIInChI=1S/C8H14N2S/c1-6-3-4-11-8(6)7(9)5-10-2/h3-4,7,10H,5,9H2,1-2H3
InChIKeyCLZKFNAKCQWXQN-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945946
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine
CID 83828861
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
CID 130055070
(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine
CID 171222710
(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride
CID 171259927
2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61080016
(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (CID 116932549) is N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is CNCC(N)c1sccc1C.
What is the InChIKey of N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is CLZKFNAKCQWXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6-3-4-11-8(6)7(9)5-10-2/h3-4,7,10H,5,9H2,1-2H3.
What are the key properties of N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 170.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 116932549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).