3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine

C15H25N3O — CID 82754061

IUPAC3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine
SMILESCN(c1ccncc1CNC(C)(C)C)C1CCOC1
InChIInChI=1S/C15H25N3O/c1-15(2,3)17-10-12-9-16-7-5-14(12)18(4)13-6-8-19-11-13/h5,7,9,13,17H,6,8,10-11H2,1-4H3
InChIKeyLWNNVOJUVOXSCB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.19
Rot. Bonds4

About 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine

3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine (PubChem CID 82754061) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine
PubChem CID82754061
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine
SMILESCN(c1ccncc1CNC(C)(C)C)C1CCOC1
InChIInChI=1S/C15H25N3O/c1-15(2,3)17-10-12-9-16-7-5-14(12)18(4)13-6-8-19-11-13/h5,7,9,13,17H,6,8,10-11H2,1-4H3
InChIKeyLWNNVOJUVOXSCB-UHFFFAOYSA-N
XLogP2.19
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine (CID 82754061) is 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine is CN(c1ccncc1CNC(C)(C)C)C1CCOC1.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine?
The InChIKey is LWNNVOJUVOXSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)17-10-12-9-16-7-5-14(12)18(4)13-6-8-19-11-13/h5,7,9,13,17H,6,8,10-11H2,1-4H3.
What are the key properties of 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine?
3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine is sourced from PubChem (CID 82754061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).