N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine

C16H23NS — CID 79215615

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
SMILESc1ccc2c(c1)CC(CNC1CCCCCC1)S2
InChIInChI=1S/C16H23NS/c1-2-4-9-14(8-3-1)17-12-15-11-13-7-5-6-10-16(13)18-15/h5-7,10,14-15,17H,1-4,8-9,11-12H2
InChIKeyMUPOORZJNKKUKG-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.02
Rot. Bonds3

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine (PubChem CID 79215615) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
PubChem CID79215615
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
SMILESc1ccc2c(c1)CC(CNC1CCCCCC1)S2
InChIInChI=1S/C16H23NS/c1-2-4-9-14(8-3-1)17-12-15-11-13-7-5-6-10-16(13)18-15/h5-7,10,14-15,17H,1-4,8-9,11-12H2
InChIKeyMUPOORZJNKKUKG-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine
CID 79223018
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81027517
3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one
CID 79222476
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine
CID 79224118
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 106129491
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine (CID 79215615) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine is c1ccc2c(c1)CC(CNC1CCCCCC1)S2.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine?
The InChIKey is MUPOORZJNKKUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-2-4-9-14(8-3-1)17-12-15-11-13-7-5-6-10-16(13)18-15/h5-7,10,14-15,17H,1-4,8-9,11-12H2.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine has a molecular weight of 261.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine is sourced from PubChem (CID 79215615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).