N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

C13H17N3S — CID 116882217

IUPACN-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCNCC1(c2ncc(-c3sccc3C)[nH]2)CC1
InChIInChI=1S/C13H17N3S/c1-9-3-6-17-11(9)10-7-15-12(16-10)13(4-5-13)8-14-2/h3,6-7,14H,4-5,8H2,1-2H3,(H,15,16)
InChIKeyVVLMYHXAFUZRGR-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.70
Rot. Bonds4

About N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (PubChem CID 116882217) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
PubChem CID116882217
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCNCC1(c2ncc(-c3sccc3C)[nH]2)CC1
InChIInChI=1S/C13H17N3S/c1-9-3-6-17-11(9)10-7-15-12(16-10)13(4-5-13)8-14-2/h3,6-7,14H,4-5,8H2,1-2H3,(H,15,16)
InChIKeyVVLMYHXAFUZRGR-UHFFFAOYSA-N
XLogP2.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (CID 116882217) is N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is CNCC1(c2ncc(-c3sccc3C)[nH]2)CC1.
What is the InChIKey of N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is VVLMYHXAFUZRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-3-6-17-11(9)10-7-15-12(16-10)13(4-5-13)8-14-2/h3,6-7,14H,4-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116882217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).