2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol

C14H23NOS — CID 65188195

IUPAC2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(CN)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H23NOS/c1-9(2)6-11(8-15)14(16)13-7-10-4-3-5-12(10)17-13/h7,9,11,14,16H,3-6,8,15H2,1-2H3
InChIKeyHGRYMZHSEACVOL-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.89
Rot. Bonds5

About 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol

2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol (PubChem CID 65188195) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol
PubChem CID65188195
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(CN)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H23NOS/c1-9(2)6-11(8-15)14(16)13-7-10-4-3-5-12(10)17-13/h7,9,11,14,16H,3-6,8,15H2,1-2H3
InChIKeyHGRYMZHSEACVOL-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol (CID 65188195) is 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol is CC(C)CC(CN)C(O)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol?
The InChIKey is HGRYMZHSEACVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-9(2)6-11(8-15)14(16)13-7-10-4-3-5-12(10)17-13/h7,9,11,14,16H,3-6,8,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol?
2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 65188195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).