[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol

C15H23NOS — CID 113383719

IUPAC[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2(CN)CC3CCC2C3)c(C)s1
InChIInChI=1S/C15H23NOS/c1-9-5-13(10(2)18-9)14(17)15(8-16)7-11-3-4-12(15)6-11/h5,11-12,14,17H,3-4,6-8,16H2,1-2H3
InChIKeyKSFHXIZAKOWWBV-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.16
Rot. Bonds3

About [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol

[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 113383719) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID113383719
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2(CN)CC3CCC2C3)c(C)s1
InChIInChI=1S/C15H23NOS/c1-9-5-13(10(2)18-9)14(17)15(8-16)7-11-3-4-12(15)6-11/h5,11-12,14,17H,3-4,6-8,16H2,1-2H3
InChIKeyKSFHXIZAKOWWBV-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-phenylmethanol
CID 113383710
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol
CID 79137526
2-(1-adamantyl)-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 79987478
1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-2-methylpropan-1-ol
CID 116503452
[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(2,5-dimethylthiophen-3-yl)methanol
CID 113290093
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine
CID 54980475
3-[1-adamantyl(bromo)methyl]-2,5-dimethylthiophene
CID 63440372
[2-(3-methylbutan-2-yl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 130706865
(2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
CID 114097109
(3,5-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 64729274
3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol
CID 63427096
(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912363

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol (CID 113383719) is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol is Cc1cc(C(O)C2(CN)CC3CCC2C3)c(C)s1.
What is the InChIKey of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is KSFHXIZAKOWWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-9-5-13(10(2)18-9)14(17)15(8-16)7-11-3-4-12(15)6-11/h5,11-12,14,17H,3-4,6-8,16H2,1-2H3.
What are the key properties of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol?
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 265.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 113383719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).