3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine

C16H27NS — CID 64908131

IUPAC3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(CC)s2)C1C
InChIInChI=1S/C16H27NS/c1-4-10-17-16-9-6-13(12(16)3)11-15-8-7-14(5-2)18-15/h7-8,12-13,16-17H,4-6,9-11H2,1-3H3
InChIKeyPXYYPYFXVSMXDM-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.27
Rot. Bonds6

About 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine

3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 64908131) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
PubChem CID64908131
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(CC)s2)C1C
InChIInChI=1S/C16H27NS/c1-4-10-17-16-9-6-13(12(16)3)11-15-8-7-14(5-2)18-15/h7-8,12-13,16-17H,4-6,9-11H2,1-3H3
InChIKeyPXYYPYFXVSMXDM-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine (CID 64908131) is 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(Cc2ccc(CC)s2)C1C.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is PXYYPYFXVSMXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-10-17-16-9-6-13(12(16)3)11-15-8-7-14(5-2)18-15/h7-8,12-13,16-17H,4-6,9-11H2,1-3H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64908131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).