2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine

C14H23NS — CID 65099287

IUPAC2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)c1ccsc1
InChIInChI=1S/C14H23NS/c1-13(2,3)12-6-4-5-8-14(12,15)11-7-9-16-10-11/h7,9-10,12H,4-6,8,15H2,1-3H3
InChIKeyWMPRXJVYECTEFB-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.14
Rot. Bonds1

About 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine

2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine (PubChem CID 65099287) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine
PubChem CID65099287
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)c1ccsc1
InChIInChI=1S/C14H23NS/c1-13(2,3)12-6-4-5-8-14(12,15)11-7-9-16-10-11/h7,9-10,12H,4-6,8,15H2,1-3H3
InChIKeyWMPRXJVYECTEFB-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine (CID 65099287) is 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine is CC(C)(C)C1CCCCC1(N)c1ccsc1.
What is the InChIKey of 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine?
The InChIKey is WMPRXJVYECTEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-13(2,3)12-6-4-5-8-14(12,15)11-7-9-16-10-11/h7,9-10,12H,4-6,8,15H2,1-3H3.
What are the key properties of 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine?
2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine is sourced from PubChem (CID 65099287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).