1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine

C19H27NS — CID 10447616

IUPAC1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC)C1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C19H27NS/c1-3-14-20(4-2)19(12-8-5-9-13-19)18-15-16-10-6-7-11-17(16)21-18/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3
InChIKeyIMEPHTDHCZKKGT-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.79
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine

1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine (PubChem CID 10447616) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine
PubChem CID10447616
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC)C1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C19H27NS/c1-3-14-20(4-2)19(12-8-5-9-13-19)18-15-16-10-6-7-11-17(16)21-18/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3
InChIKeyIMEPHTDHCZKKGT-UHFFFAOYSA-N
XLogP5.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.79
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-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine (CID 10447616) is 1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine is CCCN(CC)C1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is IMEPHTDHCZKKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-3-14-20(4-2)19(12-8-5-9-13-19)18-15-16-10-6-7-11-17(16)21-18/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.79, 5 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-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 10447616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).