[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol

C17H22N2O — CID 79124362

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol
SMILESCC1CCC(CN)(C(O)c2cccc3cccnc23)C1
InChIInChI=1S/C17H22N2O/c1-12-7-8-17(10-12,11-18)16(20)14-6-2-4-13-5-3-9-19-15(13)14/h2-6,9,12,16,20H,7-8,10-11,18H2,1H3
InChIKeyCLRSSVRZQURFJB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.03
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol

[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol (PubChem CID 79124362) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol
PubChem CID79124362
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol
SMILESCC1CCC(CN)(C(O)c2cccc3cccnc23)C1
InChIInChI=1S/C17H22N2O/c1-12-7-8-17(10-12,11-18)16(20)14-6-2-4-13-5-3-9-19-15(13)14/h2-6,9,12,16,20H,7-8,10-11,18H2,1H3
InChIKeyCLRSSVRZQURFJB-UHFFFAOYSA-N
XLogP3.03
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol (CID 79124362) is [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol is CC1CCC(CN)(C(O)c2cccc3cccnc23)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol?
The InChIKey is CLRSSVRZQURFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-7-8-17(10-12,11-18)16(20)14-6-2-4-13-5-3-9-19-15(13)14/h2-6,9,12,16,20H,7-8,10-11,18H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol?
[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol has a molecular weight of 270.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol is sourced from PubChem (CID 79124362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).