N-(oxan-4-yl)-1,2-dihydropyridin-2-amine

C10H16N2O — CID 173089456

IUPACN-(oxan-4-yl)-1,2-dihydropyridin-2-amine
SMILESC1=CNC(NC2CCOCC2)C=C1
InChIInChI=1S/C10H16N2O/c1-2-6-11-10(3-1)12-9-4-7-13-8-5-9/h1-3,6,9-12H,4-5,7-8H2
InChIKeyVDXOFULRXZVEJM-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.75
Rot. Bonds2

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

N-(oxan-4-yl)-1,2-dihydropyridin-2-amine (PubChem CID 173089456) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(oxan-4-yl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-1,2-dihydropyridin-2-amine
PubChem CID173089456
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(oxan-4-yl)-1,2-dihydropyridin-2-amine
SMILESC1=CNC(NC2CCOCC2)C=C1
InChIInChI=1S/C10H16N2O/c1-2-6-11-10(3-1)12-9-4-7-13-8-5-9/h1-3,6,9-12H,4-5,7-8H2
InChIKeyVDXOFULRXZVEJM-UHFFFAOYSA-N
XLogP0.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.75
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-dihydropyridin-2-amine?
The IUPAC name of N-(oxan-4-yl)-1,2-dihydropyridin-2-amine (CID 173089456) is N-(oxan-4-yl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for N-(oxan-4-yl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for N-(oxan-4-yl)-1,2-dihydropyridin-2-amine is C1=CNC(NC2CCOCC2)C=C1.
What is the InChIKey of N-(oxan-4-yl)-1,2-dihydropyridin-2-amine?
The InChIKey is VDXOFULRXZVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-6-11-10(3-1)12-9-4-7-13-8-5-9/h1-3,6,9-12H,4-5,7-8H2.
What are the key properties of N-(oxan-4-yl)-1,2-dihydropyridin-2-amine?
N-(oxan-4-yl)-1,2-dihydropyridin-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.75, 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-dihydropyridin-2-amine is sourced from PubChem (CID 173089456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).