4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine

C16H27N3O — CID 62282950

IUPAC4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine
SMILESCN(c1cc(CNC(C)(C)C)ccn1)C1CCOCC1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-12-13-5-8-17-15(11-13)19(4)14-6-9-20-10-7-14/h5,8,11,14,18H,6-7,9-10,12H2,1-4H3
InChIKeyOQLZMKCXEAVOPF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds4

About 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine

4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 62282950) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine
PubChem CID62282950
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine
SMILESCN(c1cc(CNC(C)(C)C)ccn1)C1CCOCC1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-12-13-5-8-17-15(11-13)19(4)14-6-9-20-10-7-14/h5,8,11,14,18H,6-7,9-10,12H2,1-4H3
InChIKeyOQLZMKCXEAVOPF-UHFFFAOYSA-N
XLogP2.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine (CID 62282950) is 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine is CN(c1cc(CNC(C)(C)C)ccn1)C1CCOCC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is OQLZMKCXEAVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)18-12-13-5-8-17-15(11-13)19(4)14-6-9-20-10-7-14/h5,8,11,14,18H,6-7,9-10,12H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine?
4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 62282950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).