3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol

C13H18N2O — CID 80561188

IUPAC3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol
SMILESNC1CC(O)(C2CCc3ccccc3N2)C1
InChIInChI=1S/C13H18N2O/c14-10-7-13(16,8-10)12-6-5-9-3-1-2-4-11(9)15-12/h1-4,10,12,15-16H,5-8,14H2
InChIKeyCQPJUJUNONMBTE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.27
Rot. Bonds1

About 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol

3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol (PubChem CID 80561188) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol
PubChem CID80561188
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol
SMILESNC1CC(O)(C2CCc3ccccc3N2)C1
InChIInChI=1S/C13H18N2O/c14-10-7-13(16,8-10)12-6-5-9-3-1-2-4-11(9)15-12/h1-4,10,12,15-16H,5-8,14H2
InChIKeyCQPJUJUNONMBTE-UHFFFAOYSA-N
XLogP1.27
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol (CID 80561188) is 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol is NC1CC(O)(C2CCc3ccccc3N2)C1.
What is the InChIKey of 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol?
The InChIKey is CQPJUJUNONMBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-10-7-13(16,8-10)12-6-5-9-3-1-2-4-11(9)15-12/h1-4,10,12,15-16H,5-8,14H2.
What are the key properties of 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol?
3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 80561188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).