N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine

C15H25NS — CID 81157381

IUPACN-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)cc1C)C1CCCCC1
InChIInChI=1S/C15H25NS/c1-4-16-14(13-8-6-5-7-9-13)15-11(2)10-12(3)17-15/h10,13-14,16H,4-9H2,1-3H3
InChIKeyQSGZURJMSUPFRN-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.60
Rot. Bonds4

About N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine

N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine (PubChem CID 81157381) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
PubChem CID81157381
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)cc1C)C1CCCCC1
InChIInChI=1S/C15H25NS/c1-4-16-14(13-8-6-5-7-9-13)15-11(2)10-12(3)17-15/h10,13-14,16H,4-9H2,1-3H3
InChIKeyQSGZURJMSUPFRN-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine (CID 81157381) is N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine is CCNC(c1sc(C)cc1C)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is QSGZURJMSUPFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-16-14(13-8-6-5-7-9-13)15-11(2)10-12(3)17-15/h10,13-14,16H,4-9H2,1-3H3.
What are the key properties of N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81157381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).