N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine

C13H17N3S — CID 65172224

IUPACN-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1Cc1ccsc1
InChIInChI=1S/C13H17N3S/c1-10-14-6-13(7-15-12-2-3-12)16(10)8-11-4-5-17-9-11/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyJEEAROFOFGOYSO-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.55
Rot. Bonds5

About N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 65172224) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID65172224
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1Cc1ccsc1
InChIInChI=1S/C13H17N3S/c1-10-14-6-13(7-15-12-2-3-12)16(10)8-11-4-5-17-9-11/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyJEEAROFOFGOYSO-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171718
N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171964
N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 103050367
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172120
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171963
N-[[3-(4,4-dimethylpent-2-ynyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 114190461
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106458362
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
5-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379171
N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65171918

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine (CID 65172224) is N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine is Cc1ncc(CNC2CC2)n1Cc1ccsc1.
What is the InChIKey of N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is JEEAROFOFGOYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-14-6-13(7-15-12-2-3-12)16(10)8-11-4-5-17-9-11/h4-6,9,12,15H,2-3,7-8H2,1H3.
What are the key properties of N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 247.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65172224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).