N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine

C14H20N2O — CID 105491661

IUPACN-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine
SMILESc1ccc2c(c1)CC(NC1CCOCC1)CN2
InChIInChI=1S/C14H20N2O/c1-2-4-14-11(3-1)9-13(10-15-14)16-12-5-7-17-8-6-12/h1-4,12-13,15-16H,5-10H2
InChIKeyXBLUCEDMTBJJLQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.79
Rot. Bonds2

About N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine

N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine (PubChem CID 105491661) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine
PubChem CID105491661
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine
SMILESc1ccc2c(c1)CC(NC1CCOCC1)CN2
InChIInChI=1S/C14H20N2O/c1-2-4-14-11(3-1)9-13(10-15-14)16-12-5-7-17-8-6-12/h1-4,12-13,15-16H,5-10H2
InChIKeyXBLUCEDMTBJJLQ-UHFFFAOYSA-N
XLogP1.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine?
The IUPAC name of N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine (CID 105491661) is N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine.
What is the SMILES notation for N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine?
The canonical SMILES for N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine is c1ccc2c(c1)CC(NC1CCOCC1)CN2.
What is the InChIKey of N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine?
The InChIKey is XBLUCEDMTBJJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-4-14-11(3-1)9-13(10-15-14)16-12-5-7-17-8-6-12/h1-4,12-13,15-16H,5-10H2.
What are the key properties of N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine?
N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine is sourced from PubChem (CID 105491661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).