N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine

C16H29N3O — CID 62289000

IUPACN-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCCC(C)N(CCOC)c1nc(C)cc(C)c1CNC
InChIInChI=1S/C16H29N3O/c1-7-14(4)19(8-9-20-6)16-15(11-17-5)12(2)10-13(3)18-16/h10,14,17H,7-9,11H2,1-6H3
InChIKeyREZPROSXLBYLBI-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.67
Rot. Bonds8

About N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine

N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine (PubChem CID 62289000) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine
PubChem CID62289000
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCCC(C)N(CCOC)c1nc(C)cc(C)c1CNC
InChIInChI=1S/C16H29N3O/c1-7-14(4)19(8-9-20-6)16-15(11-17-5)12(2)10-13(3)18-16/h10,14,17H,7-9,11H2,1-6H3
InChIKeyREZPROSXLBYLBI-UHFFFAOYSA-N
XLogP2.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine (CID 62289000) is N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine is CCC(C)N(CCOC)c1nc(C)cc(C)c1CNC.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine?
The InChIKey is REZPROSXLBYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-14(4)19(8-9-20-6)16-15(11-17-5)12(2)10-13(3)18-16/h10,14,17H,7-9,11H2,1-6H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine?
N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62289000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).