2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine

C9H16N2S — CID 115251177

IUPAC2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine
SMILESCCC(CN)CNc1cccs1
InChIInChI=1S/C9H16N2S/c1-2-8(6-10)7-11-9-4-3-5-12-9/h3-5,8,11H,2,6-7,10H2,1H3
InChIKeyXQCKQMMUOVRLRH-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.14
Rot. Bonds5

About 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine

2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine (PubChem CID 115251177) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine
PubChem CID115251177
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine
SMILESCCC(CN)CNc1cccs1
InChIInChI=1S/C9H16N2S/c1-2-8(6-10)7-11-9-4-3-5-12-9/h3-5,8,11H,2,6-7,10H2,1H3
InChIKeyXQCKQMMUOVRLRH-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine
CID 115251280
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
N-propylthiophen-2-amine;hydrochloride
CID 22714339
3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile
CID 115254214
N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine
CID 115252656
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide
CID 81086681
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
2-(2,2-dimethylhydrazinyl)-2-thiophen-2-ylethanamine
CID 83011900
2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103568549
2-ethyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 115251246

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine (CID 115251177) is 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine is CCC(CN)CNc1cccs1.
What is the InChIKey of 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine?
The InChIKey is XQCKQMMUOVRLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-8(6-10)7-11-9-4-3-5-12-9/h3-5,8,11H,2,6-7,10H2,1H3.
What are the key properties of 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine?
2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine has a molecular weight of 184.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115251177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).