2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride

C11H16ClNO — CID 170987706

IUPAC2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride
SMILESCC1C=C2C=CC=C2C(CCN)O1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-7-9-3-2-4-10(9)11(13-8)5-6-12;/h2-4,7-8,11H,5-6,12H2,1H3;1H
InChIKeyGBTJDHRYTPHFII-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.97
Rot. Bonds2

About 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride

2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride (PubChem CID 170987706) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride
PubChem CID170987706
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride
SMILESCC1C=C2C=CC=C2C(CCN)O1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-7-9-3-2-4-10(9)11(13-8)5-6-12;/h2-4,7-8,11H,5-6,12H2,1H3;1H
InChIKeyGBTJDHRYTPHFII-UHFFFAOYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride (CID 170987706) is 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride is CC1C=C2C=CC=C2C(CCN)O1.Cl.
What is the InChIKey of 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride?
The InChIKey is GBTJDHRYTPHFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-8-7-9-3-2-4-10(9)11(13-8)5-6-12;/h2-4,7-8,11H,5-6,12H2,1H3;1H.
What are the key properties of 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride?
2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,3-dihydrocyclopenta[c]pyran-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 170987706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).