N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine

C16H24N4S — CID 74231428

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCN(Cc1ccc(CN2CCCC2)s1)Cc1nccn1C
InChIInChI=1S/C16H24N4S/c1-18(13-16-17-7-10-19(16)2)11-14-5-6-15(21-14)12-20-8-3-4-9-20/h5-7,10H,3-4,8-9,11-13H2,1-2H3
InChIKeyGDIBGZMABSXHOC-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.71
Rot. Bonds6

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine (PubChem CID 74231428) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
PubChem CID74231428
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCN(Cc1ccc(CN2CCCC2)s1)Cc1nccn1C
InChIInChI=1S/C16H24N4S/c1-18(13-16-17-7-10-19(16)2)11-14-5-6-15(21-14)12-20-8-3-4-9-20/h5-7,10H,3-4,8-9,11-13H2,1-2H3
InChIKeyGDIBGZMABSXHOC-UHFFFAOYSA-N
XLogP2.71
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine (CID 74231428) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine is CN(Cc1ccc(CN2CCCC2)s1)Cc1nccn1C.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
The InChIKey is GDIBGZMABSXHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-18(13-16-17-7-10-19(16)2)11-14-5-6-15(21-14)12-20-8-3-4-9-20/h5-7,10H,3-4,8-9,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine has a molecular weight of 304.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 74231428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).