N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine

C17H25NS — CID 79223018

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2Cc3ccccc3S2)C1
InChIInChI=1S/C17H25NS/c1-2-13-6-5-8-15(10-13)18-12-16-11-14-7-3-4-9-17(14)19-16/h3-4,7,9,13,15-16,18H,2,5-6,8,10-12H2,1H3
InChIKeyHHYNZEMDEOQPGJ-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.26
Rot. Bonds4

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

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine (PubChem CID 79223018) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine
PubChem CID79223018
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2Cc3ccccc3S2)C1
InChIInChI=1S/C17H25NS/c1-2-13-6-5-8-15(10-13)18-12-16-11-14-7-3-4-9-17(14)19-16/h3-4,7,9,13,15-16,18H,2,5-6,8,10-12H2,1H3
InChIKeyHHYNZEMDEOQPGJ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine (CID 79223018) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine is CCC1CCCC(NCC2Cc3ccccc3S2)C1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine?
The InChIKey is HHYNZEMDEOQPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-2-13-6-5-8-15(10-13)18-12-16-11-14-7-3-4-9-17(14)19-16/h3-4,7,9,13,15-16,18H,2,5-6,8,10-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylcyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 4.26, 4 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)-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 79223018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).