5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine

C14H23NS — CID 65099743

IUPAC5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2ccsc2)C1
InChIInChI=1S/C14H23NS/c1-10(2)13-5-4-11(3)8-14(13,15)12-6-7-16-9-12/h6-7,9-11,13H,4-5,8,15H2,1-3H3
InChIKeyARBJRYCTBQBMQT-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.99
Rot. Bonds2

About 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine

5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine (PubChem CID 65099743) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine
PubChem CID65099743
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2ccsc2)C1
InChIInChI=1S/C14H23NS/c1-10(2)13-5-4-11(3)8-14(13,15)12-6-7-16-9-12/h6-7,9-11,13H,4-5,8,15H2,1-3H3
InChIKeyARBJRYCTBQBMQT-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine (CID 65099743) is 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(c2ccsc2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine?
The InChIKey is ARBJRYCTBQBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10(2)13-5-4-11(3)8-14(13,15)12-6-7-16-9-12/h6-7,9-11,13H,4-5,8,15H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine?
5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine is sourced from PubChem (CID 65099743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).