1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C12H22N2S — CID 62463458

IUPAC1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCNCC(C)N(CC)Cc1cccs1
InChIInChI=1S/C12H22N2S/c1-4-13-9-11(3)14(5-2)10-12-7-6-8-15-12/h6-8,11,13H,4-5,9-10H2,1-3H3
InChIKeyXLJPODUIQCLHTM-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.57
Rot. Bonds7

About 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 62463458) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID62463458
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCNCC(C)N(CC)Cc1cccs1
InChIInChI=1S/C12H22N2S/c1-4-13-9-11(3)14(5-2)10-12-7-6-8-15-12/h6-8,11,13H,4-5,9-10H2,1-3H3
InChIKeyXLJPODUIQCLHTM-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568180
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231
1-N-ethyl-2-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62421908
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
CID 62462942
3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile
CID 61436724
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 102997888
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
1-N-(3-methylbutyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087518
1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570543
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 62463458) is 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CCNCC(C)N(CC)Cc1cccs1.
What is the InChIKey of 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is XLJPODUIQCLHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-13-9-11(3)14(5-2)10-12-7-6-8-15-12/h6-8,11,13H,4-5,9-10H2,1-3H3.
What are the key properties of 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62463458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).