2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine

C13H21N3O — CID 81131398

IUPAC2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(N(C)CC2CCCOC2)n1
InChIInChI=1S/C13H21N3O/c1-10-5-6-12(14)13(15-10)16(2)8-11-4-3-7-17-9-11/h5-6,11H,3-4,7-9,14H2,1-2H3
InChIKeyPTCDHJNABYNVCL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.84
Rot. Bonds3

About 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine

2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine (PubChem CID 81131398) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine
PubChem CID81131398
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(N(C)CC2CCCOC2)n1
InChIInChI=1S/C13H21N3O/c1-10-5-6-12(14)13(15-10)16(2)8-11-4-3-7-17-9-11/h5-6,11H,3-4,7-9,14H2,1-2H3
InChIKeyPTCDHJNABYNVCL-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine (CID 81131398) is 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine is Cc1ccc(N)c(N(C)CC2CCCOC2)n1.
What is the InChIKey of 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine?
The InChIKey is PTCDHJNABYNVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-5-6-12(14)13(15-10)16(2)8-11-4-3-7-17-9-11/h5-6,11H,3-4,7-9,14H2,1-2H3.
What are the key properties of 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine?
2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 81131398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).