N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine

C9H16N2O — CID 80712785

IUPACN-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC1CCC(NC2CCOC2)=NC1
InChIInChI=1S/C9H16N2O/c1-2-5-10-9(3-1)11-8-4-6-12-7-8/h8H,1-7H2,(H,10,11)
InChIKeyPNTHLQBNNNAWGX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.95
Rot. Bonds1

About N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine

N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 80712785) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID80712785
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC1CCC(NC2CCOC2)=NC1
InChIInChI=1S/C9H16N2O/c1-2-5-10-9(3-1)11-8-4-6-12-7-8/h8H,1-7H2,(H,10,11)
InChIKeyPNTHLQBNNNAWGX-UHFFFAOYSA-N
XLogP0.95
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine (CID 80712785) is N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine is C1CCC(NC2CCOC2)=NC1.
What is the InChIKey of N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is PNTHLQBNNNAWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-5-10-9(3-1)11-8-4-6-12-7-8/h8H,1-7H2,(H,10,11).
What are the key properties of N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 168.24 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 80712785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).