N-(1-benzothiophen-3-ylmethyl)cycloheptanamine

C16H21NS — CID 55199785

IUPACN-(1-benzothiophen-3-ylmethyl)cycloheptanamine
SMILESc1ccc2c(CNC3CCCCCC3)csc2c1
InChIInChI=1S/C16H21NS/c1-2-4-8-14(7-3-1)17-11-13-12-18-16-10-6-5-9-15(13)16/h5-6,9-10,12,14,17H,1-4,7-8,11H2
InChIKeyAHDOFNKNUFIGNB-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.71
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)cycloheptanamine

N-(1-benzothiophen-3-ylmethyl)cycloheptanamine (PubChem CID 55199785) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)cycloheptanamine
PubChem CID55199785
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-(1-benzothiophen-3-ylmethyl)cycloheptanamine
SMILESc1ccc2c(CNC3CCCCCC3)csc2c1
InChIInChI=1S/C16H21NS/c1-2-4-8-14(7-3-1)17-11-13-12-18-16-10-6-5-9-15(13)16/h5-6,9-10,12,14,17H,1-4,7-8,11H2
InChIKeyAHDOFNKNUFIGNB-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456
N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 60705134
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117185049
3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine
CID 117170816
N-(1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 60761723
N-[(3-chloro-1-benzothiophen-2-yl)methyl]cyclooctanamine
CID 60663054
N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117181451
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
CID 65300642
N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
CID 65308766
N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117170813
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)cycloheptanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)cycloheptanamine (CID 55199785) is N-(1-benzothiophen-3-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)cycloheptanamine is c1ccc2c(CNC3CCCCCC3)csc2c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)cycloheptanamine?
The InChIKey is AHDOFNKNUFIGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-4-8-14(7-3-1)17-11-13-12-18-16-10-6-5-9-15(13)16/h5-6,9-10,12,14,17H,1-4,7-8,11H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)cycloheptanamine?
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine has a molecular weight of 259.42 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)cycloheptanamine is sourced from PubChem (CID 55199785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).