4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol

C13H18N2O — CID 105472985

IUPAC4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol
SMILESOc1ccc2c(c1)NCCC2NC1CCC1
InChIInChI=1S/C13H18N2O/c16-10-4-5-11-12(15-9-2-1-3-9)6-7-14-13(11)8-10/h4-5,8-9,12,14-16H,1-3,6-7H2
InChIKeyBOHNZSUROJURSR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.39
Rot. Bonds2

About 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol

4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol (PubChem CID 105472985) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol.

Molecular Properties

Compound Name4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol
PubChem CID105472985
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol
SMILESOc1ccc2c(c1)NCCC2NC1CCC1
InChIInChI=1S/C13H18N2O/c16-10-4-5-11-12(15-9-2-1-3-9)6-7-14-13(11)8-10/h4-5,8-9,12,14-16H,1-3,6-7H2
InChIKeyBOHNZSUROJURSR-UHFFFAOYSA-N
XLogP2.39
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol
CID 105459379
N-cyclopropyl-7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454809
N-cyclohexyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105488657
N-cyclopropyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105443290
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
CID 70161946
4-(dimethylamino)-1,2,3,4-tetrahydroquinolin-7-ol
CID 105446267
5-chloro-N-cyclobutyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105498687
N-cyclopropyl-6-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454813
1-[(4-hydroxycyclohexyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682715
2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-ol
CID 83816771
2-(cyclobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 105455650

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
The IUPAC name of 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol (CID 105472985) is 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol.
What is the SMILES notation for 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
The canonical SMILES for 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol is Oc1ccc2c(c1)NCCC2NC1CCC1.
What is the InChIKey of 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
The InChIKey is BOHNZSUROJURSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-10-4-5-11-12(15-9-2-1-3-9)6-7-14-13(11)8-10/h4-5,8-9,12,14-16H,1-3,6-7H2.
What are the key properties of 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol has a molecular weight of 218.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-1,2,3,4-tetrahydroquinolin-7-ol is sourced from PubChem (CID 105472985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).