N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine

C10H18N2S — CID 43373764

IUPACN'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(CN(C)CCN)s1
InChIInChI=1S/C10H18N2S/c1-3-9-4-5-10(13-9)8-12(2)7-6-11/h4-5H,3,6-8,11H2,1-2H3
InChIKeySFUVRYPTNBDWRD-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.70
Rot. Bonds5

About N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine

N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 43373764) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID43373764
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(CN(C)CCN)s1
InChIInChI=1S/C10H18N2S/c1-3-9-4-5-10(13-9)8-12(2)7-6-11/h4-5H,3,6-8,11H2,1-2H3
InChIKeySFUVRYPTNBDWRD-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate
CID 62010884
2,5-diethylthiophene
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N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 107557246
2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 55103655
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine
CID 79478506
N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057
N'-methyl-N'-[(5-nitrothiophen-2-yl)methyl]propane-1,3-diamine
CID 104869633
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199
N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79427187
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433

Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine (CID 43373764) is N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine is CCc1ccc(CN(C)CCN)s1.
What is the InChIKey of N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is SFUVRYPTNBDWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-9-4-5-10(13-9)8-12(2)7-6-11/h4-5H,3,6-8,11H2,1-2H3.
What are the key properties of N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 198.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 43373764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).