2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine

C14H23NS — CID 81014515

IUPAC2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2sccc2C)C1
InChIInChI=1S/C14H23NS/c1-3-4-11-5-6-13(15)12(9-11)14-10(2)7-8-16-14/h7-8,11-13H,3-6,9,15H2,1-2H3
InChIKeyUZGXVIRDVPDNCD-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.07
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine

2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine (PubChem CID 81014515) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine
PubChem CID81014515
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2sccc2C)C1
InChIInChI=1S/C14H23NS/c1-3-4-11-5-6-13(15)12(9-11)14-10(2)7-8-16-14/h7-8,11-13H,3-6,9,15H2,1-2H3
InChIKeyUZGXVIRDVPDNCD-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine (CID 81014515) is 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(c2sccc2C)C1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine?
The InChIKey is UZGXVIRDVPDNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-4-11-5-6-13(15)12(9-11)14-10(2)7-8-16-14/h7-8,11-13H,3-6,9,15H2,1-2H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine?
2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 81014515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).