N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine

C17H25N3S — CID 105011203

IUPACN-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1cc2c(s1)CCCCC2
InChIInChI=1S/C17H25N3S/c1-3-18-14(12-17-19-9-10-20(17)2)16-11-13-7-5-4-6-8-15(13)21-16/h9-11,14,18H,3-8,12H2,1-2H3
InChIKeyXGBZGAFWYYPIPZ-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.64
Rot. Bonds5

About N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine

N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine (PubChem CID 105011203) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
PubChem CID105011203
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1cc2c(s1)CCCCC2
InChIInChI=1S/C17H25N3S/c1-3-18-14(12-17-19-9-10-20(17)2)16-11-13-7-5-4-6-8-15(13)21-16/h9-11,14,18H,3-8,12H2,1-2H3
InChIKeyXGBZGAFWYYPIPZ-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81345295
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009197
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011239
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 115781972
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803851
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115847120
2-(3,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63528156
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115864397
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316345
N-ethyl-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexan-1-amine
CID 115845515
N-ethyl-3-methylsulfonyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-amine
CID 115848086
N-[2-(1H-imidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 43497966

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine (CID 105011203) is N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine is CCNC(Cc1nccn1C)c1cc2c(s1)CCCCC2.
What is the InChIKey of N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine?
The InChIKey is XGBZGAFWYYPIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-3-18-14(12-17-19-9-10-20(17)2)16-11-13-7-5-4-6-8-15(13)21-16/h9-11,14,18H,3-8,12H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine?
N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine has a molecular weight of 303.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine is sourced from PubChem (CID 105011203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).