N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine

C18H25NS2 — CID 43491846

IUPACN-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2c(s1)CCCCC2)c1cc(C)sc1C
InChIInChI=1S/C18H25NS2/c1-4-19-18(15-10-12(2)20-13(15)3)17-11-14-8-6-5-7-9-16(14)21-17/h10-11,18-19H,4-9H2,1-3H3
InChIKeyHIZHBHCBHUANDN-UHFFFAOYSA-N
MW319.54 g/mol
LogP5.39
Rot. Bonds4

About N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine

N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine (PubChem CID 43491846) has the molecular formula C18H25NS2 and a molecular weight of 319.54 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine
PubChem CID43491846
Molecular FormulaC18H25NS2
Molecular Weight319.54 g/mol
Exact Mass319.14
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2c(s1)CCCCC2)c1cc(C)sc1C
InChIInChI=1S/C18H25NS2/c1-4-19-18(15-10-12(2)20-13(15)3)17-11-14-8-6-5-7-9-16(14)21-17/h10-11,18-19H,4-9H2,1-3H3
InChIKeyHIZHBHCBHUANDN-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(2,3-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115850440
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 115795104
N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 43493157
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850557
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852558
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43491715
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 115781972
N-[1-benzothiophen-7-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 105022091
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115778778
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 106764437
N-[(3,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 43491299
N-[(3-bromo-4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 79722120

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine (CID 43491846) is N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine is CCNC(c1cc2c(s1)CCCCC2)c1cc(C)sc1C.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine?
The InChIKey is HIZHBHCBHUANDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS2/c1-4-19-18(15-10-12(2)20-13(15)3)17-11-14-8-6-5-7-9-16(14)21-17/h10-11,18-19H,4-9H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine?
N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine has a molecular weight of 319.54 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43491846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).