1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine

C12H22N2S — CID 65241400

IUPAC1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1cc(C)c(C)s1
InChIInChI=1S/C12H22N2S/c1-9-6-11(15-10(9)2)7-14-8-12(3,4)13-5/h6,13-14H,7-8H2,1-5H3
InChIKeyGPZBWHRXYKUTFD-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.45
Rot. Bonds5

About 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine

1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 65241400) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID65241400
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1cc(C)c(C)s1
InChIInChI=1S/C12H22N2S/c1-9-6-11(15-10(9)2)7-14-8-12(3,4)13-5/h6,13-14H,7-8H2,1-5H3
InChIKeyGPZBWHRXYKUTFD-UHFFFAOYSA-N
XLogP2.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 65238850
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 80550247
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide
CID 65241720
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115222230
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222275
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 65243483
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine
CID 81105748
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106437836
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine (CID 65241400) is 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNCc1cc(C)c(C)s1.
What is the InChIKey of 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is GPZBWHRXYKUTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-6-11(15-10(9)2)7-14-8-12(3,4)13-5/h6,13-14H,7-8H2,1-5H3.
What are the key properties of 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 65241400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).