N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine

C17H29NS — CID 115833589

IUPACN-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine
SMILESCCCCCCC(NC)c1cc2c(s1)CCCCC2
InChIInChI=1S/C17H29NS/c1-3-4-5-8-11-15(18-2)17-13-14-10-7-6-9-12-16(14)19-17/h13,15,18H,3-12H2,1-2H3
InChIKeyCOGAVBJZUOAXCF-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.25
Rot. Bonds7

About N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine

N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine (PubChem CID 115833589) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine
PubChem CID115833589
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine
SMILESCCCCCCC(NC)c1cc2c(s1)CCCCC2
InChIInChI=1S/C17H29NS/c1-3-4-5-8-11-15(18-2)17-13-14-10-7-6-9-12-16(14)19-17/h13,15,18H,3-12H2,1-2H3
InChIKeyCOGAVBJZUOAXCF-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)decan-1-amine
CID 115831741
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylnonan-1-amine
CID 115835124
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine
CID 105298347
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyldecan-1-amine
CID 115831829
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentylhydrazine
CID 105293687
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
N-methyl-4-methylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 115820921
N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 115849606
2-cyclopropyl-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 104986496
[5-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexyl]hydrazine
CID 105331199
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030632
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine?
The IUPAC name of N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine (CID 115833589) is N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine.
What is the SMILES notation for N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine?
The canonical SMILES for N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine is CCCCCCC(NC)c1cc2c(s1)CCCCC2.
What is the InChIKey of N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine?
The InChIKey is COGAVBJZUOAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-3-4-5-8-11-15(18-2)17-13-14-10-7-6-9-12-16(14)19-17/h13,15,18H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine?
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine is sourced from PubChem (CID 115833589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).