N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine

C12H17N3S — CID 66133359

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCn1cncc1CNC(C)c1cccs1
InChIInChI=1S/C12H17N3S/c1-3-15-9-13-7-11(15)8-14-10(2)12-5-4-6-16-12/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyIAXKABKCJJNZEB-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.82
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 66133359) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID66133359
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCn1cncc1CNC(C)c1cccs1
InChIInChI=1S/C12H17N3S/c1-3-15-9-13-7-11(15)8-14-10(2)12-5-4-6-16-12/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyIAXKABKCJJNZEB-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

N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 115709775
(1S)-N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 104939449
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376063
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
(3-ethylimidazol-4-yl)-thiophen-2-ylmethanol
CID 66135577

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine (CID 66133359) is N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine is CCn1cncc1CNC(C)c1cccs1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is IAXKABKCJJNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-15-9-13-7-11(15)8-14-10(2)12-5-4-6-16-12/h4-7,9-10,14H,3,8H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-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-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 66133359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).