2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C11H20N2S — CID 65228216

IUPAC2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1cccs1
InChIInChI=1S/C11H20N2S/c1-3-10(7-12)8-13(2)9-11-5-4-6-14-11/h4-6,10H,3,7-9,12H2,1-2H3
InChIKeyWUJAUQMIGYHKQP-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.16
Rot. Bonds6

About 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 65228216) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID65228216
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1cccs1
InChIInChI=1S/C11H20N2S/c1-3-10(7-12)8-13(2)9-11-5-4-6-14-11/h4-6,10H,3,7-9,12H2,1-2H3
InChIKeyWUJAUQMIGYHKQP-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435
N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 104681857
2-[[methyl(thiophen-2-ylmethyl)amino]methyl]butanoic acid
CID 115249975
N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232585
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 65228216) is 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CCC(CN)CN(C)Cc1cccs1.
What is the InChIKey of 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is WUJAUQMIGYHKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-10(7-12)8-13(2)9-11-5-4-6-14-11/h4-6,10H,3,7-9,12H2,1-2H3.
What are the key properties of 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 65228216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).