5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol

C10H14N2O — CID 3662395

IUPAC5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol
SMILESNCC1(O)CCCc2ncccc21
InChIInChI=1S/C10H14N2O/c11-7-10(13)5-1-4-9-8(10)3-2-6-12-9/h2-3,6,13H,1,4-5,7,11H2
InChIKeyYPXDYHZTMBUGEI-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.56
Rot. Bonds1

About 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol

5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol (PubChem CID 3662395) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol.

Molecular Properties

Compound Name5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol
PubChem CID3662395
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol
SMILESNCC1(O)CCCc2ncccc21
InChIInChI=1S/C10H14N2O/c11-7-10(13)5-1-4-9-8(10)3-2-6-12-9/h2-3,6,13H,1,4-5,7,11H2
InChIKeyYPXDYHZTMBUGEI-UHFFFAOYSA-N
XLogP0.56
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol?
The IUPAC name of 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol (CID 3662395) is 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol.
What is the SMILES notation for 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol?
The canonical SMILES for 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol is NCC1(O)CCCc2ncccc21.
What is the InChIKey of 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol?
The InChIKey is YPXDYHZTMBUGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-7-10(13)5-1-4-9-8(10)3-2-6-12-9/h2-3,6,13H,1,4-5,7,11H2.
What are the key properties of 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol?
5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol has a molecular weight of 178.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-7,8-dihydro-6H-quinolin-5-ol is sourced from PubChem (CID 3662395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).