3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol

C13H18N2O — CID 105472968

IUPAC3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol
SMILESOc1ccc2c(c1)CC(CNC1CC1)CN2
InChIInChI=1S/C13H18N2O/c16-12-3-4-13-10(6-12)5-9(8-15-13)7-14-11-1-2-11/h3-4,6,9,11,14-16H,1-2,5,7-8H2
InChIKeyYVHKHNBOWQXFJQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.73
Rot. Bonds3

About 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol

3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol (PubChem CID 105472968) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol
PubChem CID105472968
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol
SMILESOc1ccc2c(c1)CC(CNC1CC1)CN2
InChIInChI=1S/C13H18N2O/c16-12-3-4-13-10(6-12)5-9(8-15-13)7-14-11-1-2-11/h3-4,6,9,11,14-16H,1-2,5,7-8H2
InChIKeyYVHKHNBOWQXFJQ-UHFFFAOYSA-N
XLogP1.73
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 105474259
N-[(6-chloro-1,2,3,4-tetrahydroquinolin-3-yl)methyl]ethanamine
CID 105482686
6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 54367728
2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)acetic acid
CID 105460131
5-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105471653
3-piperidin-1-yl-1,2,3,4-tetrahydroquinolin-6-ol
CID 105491650
3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol
CID 105476290
(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 82408944
2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol
CID 102526168
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197
2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol
CID 84659924
2-(2-hydroxyethyl)-2,3-dihydro-1H-inden-5-ol
CID 105437547

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol?
The IUPAC name of 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol (CID 105472968) is 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol is Oc1ccc2c(c1)CC(CNC1CC1)CN2.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol?
The InChIKey is YVHKHNBOWQXFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-12-3-4-13-10(6-12)5-9(8-15-13)7-14-11-1-2-11/h3-4,6,9,11,14-16H,1-2,5,7-8H2.
What are the key properties of 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol?
3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol has a molecular weight of 218.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol is sourced from PubChem (CID 105472968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).