3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine

C11H15N3S — CID 17155303

IUPAC3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCn2ccnc2)c1
InChIInChI=1S/C11H15N3S/c1-3-11(15-8-1)9-12-4-2-6-14-7-5-13-10-14/h1,3,5,7-8,10,12H,2,4,6,9H2
InChIKeyIJQCIOLBJSGIEJ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.12
Rot. Bonds6

About 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 17155303) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID17155303
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCn2ccnc2)c1
InChIInChI=1S/C11H15N3S/c1-3-11(15-8-1)9-12-4-2-6-14-7-5-13-10-14/h1,3,5,7-8,10,12H,2,4,6,9H2
InChIKeyIJQCIOLBJSGIEJ-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.12
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-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 3699358
2-(thiophen-2-yl)-1H-imidazole
CID 4291023
N-[3-(1H-imidazol-1-yl)propyl]-5-methylthiophene-2-carboxamide
CID 13371091
1-((4-phenylthiophen-2-yl)methyl)-1H-imidazole
CID 44455927
1-(5-Phenyl-thiophen-2-ylmethyl)-1H-imidazole
CID 53319147
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 75382647
N-[4-(1H-imidazol-1-yl)butyl]-2-thiophenecarboxamide
CID 13371093
1-methyl-N-(thien-2-ylmethyl)-1H-imidazole-4-sulfonamide
CID 3242095
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 71916239
N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2842773
2-(2-Thienyl)histamine
CID 11819933
N-(2-thienylmethyl)imidazol-1-amine
CID 457284

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 17155303) is 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine is c1csc(CNCCCn2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is IJQCIOLBJSGIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-11(15-8-1)9-12-4-2-6-14-7-5-13-10-14/h1,3,5,7-8,10,12H,2,4,6,9H2.
What are the key properties of 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 17155303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).