N-(oxonan-4-yl)pyridin-4-amine

C13H20N2O — CID 57144973

IUPACN-(oxonan-4-yl)pyridin-4-amine
SMILESc1cc(NC2CCCCCOCC2)ccn1
InChIInChI=1S/C13H20N2O/c1-2-4-12(7-11-16-10-3-1)15-13-5-8-14-9-6-13/h5-6,8-9,12H,1-4,7,10-11H2,(H,14,15)
InChIKeyGDLKNKFKULBXBT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.84
Rot. Bonds2

About N-(oxonan-4-yl)pyridin-4-amine

N-(oxonan-4-yl)pyridin-4-amine (PubChem CID 57144973) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(oxonan-4-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-(oxonan-4-yl)pyridin-4-amine
PubChem CID57144973
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(oxonan-4-yl)pyridin-4-amine
SMILESc1cc(NC2CCCCCOCC2)ccn1
InChIInChI=1S/C13H20N2O/c1-2-4-12(7-11-16-10-3-1)15-13-5-8-14-9-6-13/h5-6,8-9,12H,1-4,7,10-11H2,(H,14,15)
InChIKeyGDLKNKFKULBXBT-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine
CID 102496168
4-N,4-N-dimethyl-1-N-(oxepan-4-yl)benzene-1,4-diamine
CID 65081872
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
6-bromo-N-(oxepan-4-yl)pyridin-3-amine
CID 104718841
N-(4-chlorocyclohexyl)pyridin-4-amine
CID 65027641
4-(oxan-4-ylamino)pyridine-2-carbonitrile
CID 62924649
N-(4-ethoxyphenyl)oxepan-4-amine
CID 65076928
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine
CID 54862523
N-(3,5-dimethylphenyl)oxepan-4-amine
CID 65076882
N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 65082034
N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine
CID 157360031

Frequently Asked Questions

What is the IUPAC name of N-(oxonan-4-yl)pyridin-4-amine?
The IUPAC name of N-(oxonan-4-yl)pyridin-4-amine (CID 57144973) is N-(oxonan-4-yl)pyridin-4-amine.
What is the SMILES notation for N-(oxonan-4-yl)pyridin-4-amine?
The canonical SMILES for N-(oxonan-4-yl)pyridin-4-amine is c1cc(NC2CCCCCOCC2)ccn1.
What is the InChIKey of N-(oxonan-4-yl)pyridin-4-amine?
The InChIKey is GDLKNKFKULBXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-4-12(7-11-16-10-3-1)15-13-5-8-14-9-6-13/h5-6,8-9,12H,1-4,7,10-11H2,(H,14,15).
What are the key properties of N-(oxonan-4-yl)pyridin-4-amine?
N-(oxonan-4-yl)pyridin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxonan-4-yl)pyridin-4-amine is sourced from PubChem (CID 57144973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).