N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C13H19N3S — CID 50953248

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCCn1ccnc1CN(C)Cc1sccc1C
InChIInChI=1S/C13H19N3S/c1-4-16-7-6-14-13(16)10-15(3)9-12-11(2)5-8-17-12/h5-8H,4,9-10H2,1-3H3
InChIKeyKXNBGNDEDXMMER-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.90
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 50953248) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID50953248
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCCn1ccnc1CN(C)Cc1sccc1C
InChIInChI=1S/C13H19N3S/c1-4-16-7-6-14-13(16)10-15(3)9-12-11(2)5-8-17-12/h5-8H,4,9-10H2,1-3H3
InChIKeyKXNBGNDEDXMMER-UHFFFAOYSA-N
XLogP2.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 50953248) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CCn1ccnc1CN(C)Cc1sccc1C.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is KXNBGNDEDXMMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-16-7-6-14-13(16)10-15(3)9-12-11(2)5-8-17-12/h5-8H,4,9-10H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 249.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 50953248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).