1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine

C12H22N2S — CID 82946292

IUPAC1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
SMILESCc1ccsc1C(C)NC(C)CN(C)C
InChIInChI=1S/C12H22N2S/c1-9-6-7-15-12(9)11(3)13-10(2)8-14(4)5/h6-7,10-11,13H,8H2,1-5H3
InChIKeyTYZMCLKRQZXZIW-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.66
Rot. Bonds5

About 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine (PubChem CID 82946292) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
PubChem CID82946292
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
SMILESCc1ccsc1C(C)NC(C)CN(C)C
InChIInChI=1S/C12H22N2S/c1-9-6-7-15-12(9)11(3)13-10(2)8-14(4)5/h6-7,10-11,13H,8H2,1-5H3
InChIKeyTYZMCLKRQZXZIW-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 63992692
N-[1-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 63993041
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 95369394
N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63990640
N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 170129481
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine
CID 63992430
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol
CID 104925970
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine (CID 82946292) is 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine is Cc1ccsc1C(C)NC(C)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine?
The InChIKey is TYZMCLKRQZXZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-6-7-15-12(9)11(3)13-10(2)8-14(4)5/h6-7,10-11,13H,8H2,1-5H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 82946292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).