N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine

C18H31NOS — CID 63506181

IUPACN-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine
SMILESCC1CCC(C(C)C)C(OCCNCCc2cccs2)C1
InChIInChI=1S/C18H31NOS/c1-14(2)17-7-6-15(3)13-18(17)20-11-10-19-9-8-16-5-4-12-21-16/h4-5,12,14-15,17-19H,6-11,13H2,1-3H3
InChIKeyZJQGUKWRTZQMHS-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.36
Rot. Bonds8

About N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine

N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine (PubChem CID 63506181) has the molecular formula C18H31NOS and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine
PubChem CID63506181
Molecular FormulaC18H31NOS
Molecular Weight309.52 g/mol
Exact Mass309.21
IUPAC NameN-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine
SMILESCC1CCC(C(C)C)C(OCCNCCc2cccs2)C1
InChIInChI=1S/C18H31NOS/c1-14(2)17-7-6-15(3)13-18(17)20-11-10-19-9-8-16-5-4-12-21-16/h4-5,12,14-15,17-19H,6-11,13H2,1-3H3
InChIKeyZJQGUKWRTZQMHS-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine (CID 63506181) is N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine is CC1CCC(C(C)C)C(OCCNCCc2cccs2)C1.
What is the InChIKey of N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine?
The InChIKey is ZJQGUKWRTZQMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOS/c1-14(2)17-7-6-15(3)13-18(17)20-11-10-19-9-8-16-5-4-12-21-16/h4-5,12,14-15,17-19H,6-11,13H2,1-3H3.
What are the key properties of N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine?
N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine has a molecular weight of 309.52 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63506181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).