3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine

C12H16N2O — CID 14372826

IUPAC3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine
SMILESNc1c2c(nc3c1CCCO3)CCCC2
InChIInChI=1S/C12H16N2O/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-7H2,(H2,13,14)
InChIKeyZPEZHGZYZCQFAI-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.87
Rot. Bonds

About 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine

3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine (PubChem CID 14372826) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine.

Molecular Properties

Compound Name3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine
PubChem CID14372826
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine
SMILESNc1c2c(nc3c1CCCO3)CCCC2
InChIInChI=1S/C12H16N2O/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-7H2,(H2,13,14)
InChIKeyZPEZHGZYZCQFAI-UHFFFAOYSA-N
XLogP1.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine?
The IUPAC name of 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine (CID 14372826) is 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine.
What is the SMILES notation for 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine?
The canonical SMILES for 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine is Nc1c2c(nc3c1CCCO3)CCCC2.
What is the InChIKey of 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine?
The InChIKey is ZPEZHGZYZCQFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-7H2,(H2,13,14).
What are the key properties of 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine?
3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine has a molecular weight of 204.27 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,9-hexahydro-2H-pyrano[2,3-b]quinolin-5-amine is sourced from PubChem (CID 14372826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).