2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine

C15H25NS — CID 81014857

IUPAC2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CC2CC(C)(C)CCC2N)s1
InChIInChI=1S/C15H25NS/c1-4-12-5-6-13(17-12)9-11-10-15(2,3)8-7-14(11)16/h5-6,11,14H,4,7-10,16H2,1-3H3
InChIKeyXOFZZQPNOLISON-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.01
Rot. Bonds3

About 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine

2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 81014857) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID81014857
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CC2CC(C)(C)CCC2N)s1
InChIInChI=1S/C15H25NS/c1-4-12-5-6-13(17-12)9-11-10-15(2,3)8-7-14(11)16/h5-6,11,14H,4,7-10,16H2,1-3H3
InChIKeyXOFZZQPNOLISON-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 81014857) is 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine is CCc1ccc(CC2CC(C)(C)CCC2N)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is XOFZZQPNOLISON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-12-5-6-13(17-12)9-11-10-15(2,3)8-7-14(11)16/h5-6,11,14H,4,7-10,16H2,1-3H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81014857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).