1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine

C14H23NS — CID 65099403

IUPAC1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCc1cc(C2(N)CCC(C(C)C)CC2)cs1
InChIInChI=1S/C14H23NS/c1-10(2)12-4-6-14(15,7-5-12)13-8-11(3)16-9-13/h8-10,12H,4-7,15H2,1-3H3
InChIKeyOGUFLSFHYNUYHD-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.06
Rot. Bonds2

About 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine

1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 65099403) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID65099403
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCc1cc(C2(N)CCC(C(C)C)CC2)cs1
InChIInChI=1S/C14H23NS/c1-10(2)12-4-6-14(15,7-5-12)13-8-11(3)16-9-13/h8-10,12H,4-7,15H2,1-3H3
InChIKeyOGUFLSFHYNUYHD-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine (CID 65099403) is 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine is Cc1cc(C2(N)CCC(C(C)C)CC2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is OGUFLSFHYNUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10(2)12-4-6-14(15,7-5-12)13-8-11(3)16-9-13/h8-10,12H,4-7,15H2,1-3H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine?
1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 65099403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).