N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine

C12H17N3S — CID 62841853

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCCn1ccnc1CNC(C)c1ccsc1
InChIInChI=1S/C12H17N3S/c1-3-15-6-5-13-12(15)8-14-10(2)11-4-7-16-9-11/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyCJSQYPZRUMUIFI-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.82
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine

N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 62841853) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID62841853
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCCn1ccnc1CNC(C)c1ccsc1
InChIInChI=1S/C12H17N3S/c1-3-15-6-5-13-12(15)8-14-10(2)11-4-7-16-9-11/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyCJSQYPZRUMUIFI-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 62842596
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401652
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099161
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435664
N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 66397715
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62884999

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine (CID 62841853) is N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine is CCn1ccnc1CNC(C)c1ccsc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is CJSQYPZRUMUIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-15-6-5-13-12(15)8-14-10(2)11-4-7-16-9-11/h4-7,9-10,14H,3,8H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62841853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).