3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine

C13H21N3O — CID 82732656

IUPAC3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine
SMILESCc1cc(C)c(CN)c(N(C)C2CCOC2)n1
InChIInChI=1S/C13H21N3O/c1-9-6-10(2)15-13(12(9)7-14)16(3)11-4-5-17-8-11/h6,11H,4-5,7-8,14H2,1-3H3
InChIKeyAOISVCGKGXGHFK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds3

About 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine

3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine (PubChem CID 82732656) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine
PubChem CID82732656
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine
SMILESCc1cc(C)c(CN)c(N(C)C2CCOC2)n1
InChIInChI=1S/C13H21N3O/c1-9-6-10(2)15-13(12(9)7-14)16(3)11-4-5-17-8-11/h6,11H,4-5,7-8,14H2,1-3H3
InChIKeyAOISVCGKGXGHFK-UHFFFAOYSA-N
XLogP1.38
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine (CID 82732656) is 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine is Cc1cc(C)c(CN)c(N(C)C2CCOC2)n1.
What is the InChIKey of 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is AOISVCGKGXGHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-6-10(2)15-13(12(9)7-14)16(3)11-4-5-17-8-11/h6,11H,4-5,7-8,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine?
3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 82732656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).