N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine

C13H17N3S — CID 62567030

IUPACN-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
SMILESc1csc(-c2nccn2CCNCC2CC2)c1
InChIInChI=1S/C13H17N3S/c1-2-12(17-9-1)13-15-6-8-16(13)7-5-14-10-11-3-4-11/h1-2,6,8-9,11,14H,3-5,7,10H2
InChIKeyZFOGUZFDGAMLQU-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.61
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine

N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine (PubChem CID 62567030) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
PubChem CID62567030
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
SMILESc1csc(-c2nccn2CCNCC2CC2)c1
InChIInChI=1S/C13H17N3S/c1-2-12(17-9-1)13-15-6-8-16(13)7-5-14-10-11-3-4-11/h1-2,6,8-9,11,14H,3-5,7,10H2
InChIKeyZFOGUZFDGAMLQU-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
CID 62567422
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CID 62565929
1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
CID 115917906
N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine
CID 62566108
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine
CID 62358053
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766
1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole
CID 62371626
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine (CID 62567030) is N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine is c1csc(-c2nccn2CCNCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine?
The InChIKey is ZFOGUZFDGAMLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-12(17-9-1)13-15-6-8-16(13)7-5-14-10-11-3-4-11/h1-2,6,8-9,11,14H,3-5,7,10H2.
What are the key properties of N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine?
N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine is sourced from PubChem (CID 62567030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).