N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine

C10H17NS — CID 59237373

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)sc1C
InChIInChI=1S/C10H17NS/c1-7(2)11-6-10-5-8(3)9(4)12-10/h5,7,11H,6H2,1-4H3
InChIKeyMXWURCFIWLYBQP-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.86
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 59237373) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
PubChem CID59237373
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)sc1C
InChIInChI=1S/C10H17NS/c1-7(2)11-6-10-5-8(3)9(4)12-10/h5,7,11H,6H2,1-4H3
InChIKeyMXWURCFIWLYBQP-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65246415
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 65241403
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 65246063
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
methyl 2-[(4,5-dimethylthiophen-2-yl)methylamino]propanoate
CID 65243717
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
CID 65244115
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine
CID 115891774
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
CID 65246414
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613006
1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107167584
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
N-cyclopentyl-2-[(4,5-dimethylthiophen-2-yl)methylamino]propanamide
CID 65244170

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine (CID 59237373) is N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine is Cc1cc(CNC(C)C)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is MXWURCFIWLYBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-7(2)11-6-10-5-8(3)9(4)12-10/h5,7,11H,6H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 183.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 59237373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).