6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine

C14H23N3O — CID 167458628

IUPAC6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine
SMILESCC(c1nc(N)ccc1C1CCOCC1)N(C)C
InChIInChI=1S/C14H23N3O/c1-10(17(2)3)14-12(4-5-13(15)16-14)11-6-8-18-9-7-11/h4-5,10-11H,6-9H2,1-3H3,(H2,15,16)
InChIKeyZYVWNKDATVMRCE-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.18
Rot. Bonds3

About 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine

6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine (PubChem CID 167458628) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine
PubChem CID167458628
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine
SMILESCC(c1nc(N)ccc1C1CCOCC1)N(C)C
InChIInChI=1S/C14H23N3O/c1-10(17(2)3)14-12(4-5-13(15)16-14)11-6-8-18-9-7-11/h4-5,10-11H,6-9H2,1-3H3,(H2,15,16)
InChIKeyZYVWNKDATVMRCE-UHFFFAOYSA-N
XLogP2.18
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine (CID 167458628) is 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine is CC(c1nc(N)ccc1C1CCOCC1)N(C)C.
What is the InChIKey of 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine?
The InChIKey is ZYVWNKDATVMRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(17(2)3)14-12(4-5-13(15)16-14)11-6-8-18-9-7-11/h4-5,10-11H,6-9H2,1-3H3,(H2,15,16).
What are the key properties of 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine?
6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(dimethylamino)ethyl]-5-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 167458628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).