2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine

C13H23N3O — CID 104739945

IUPAC2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine
SMILESCOCCN(Cc1ncccc1N)CC(C)C
InChIInChI=1S/C13H23N3O/c1-11(2)9-16(7-8-17-3)10-13-12(14)5-4-6-15-13/h4-6,11H,7-10,14H2,1-3H3
InChIKeyAPGSSBWQWHGGQF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.77
Rot. Bonds7

About 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine

2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine (PubChem CID 104739945) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine
PubChem CID104739945
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine
SMILESCOCCN(Cc1ncccc1N)CC(C)C
InChIInChI=1S/C13H23N3O/c1-11(2)9-16(7-8-17-3)10-13-12(14)5-4-6-15-13/h4-6,11H,7-10,14H2,1-3H3
InChIKeyAPGSSBWQWHGGQF-UHFFFAOYSA-N
XLogP1.77
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine (CID 104739945) is 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine is COCCN(Cc1ncccc1N)CC(C)C.
What is the InChIKey of 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine?
The InChIKey is APGSSBWQWHGGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)9-16(7-8-17-3)10-13-12(14)5-4-6-15-13/h4-6,11H,7-10,14H2,1-3H3.
What are the key properties of 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine?
2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine has a molecular weight of 237.35 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine is sourced from PubChem (CID 104739945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).