1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine

C18H25NS — CID 618551

IUPAC1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine
SMILESCCN(CC)C1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C18H25NS/c1-3-19(4-2)18(12-8-5-9-13-18)17-14-15-10-6-7-11-16(15)20-17/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3
InChIKeyWKRWVJXELQORRD-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.40
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine

1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine (PubChem CID 618551) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine
PubChem CID618551
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine
SMILESCCN(CC)C1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C18H25NS/c1-3-19(4-2)18(12-8-5-9-13-18)17-14-15-10-6-7-11-16(15)20-17/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3
InChIKeyWKRWVJXELQORRD-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine (CID 618551) is 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine is CCN(CC)C1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine?
The InChIKey is WKRWVJXELQORRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-3-19(4-2)18(12-8-5-9-13-18)17-14-15-10-6-7-11-16(15)20-17/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N,N-diethylcyclohexan-1-amine is sourced from PubChem (CID 618551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).