2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine

C11H19N3O — CID 143224310

IUPAC2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)CC1CCOCC1
InChIInChI=1S/C11H19N3O/c12-10-2-1-5-14-11(10,13)8-9-3-6-15-7-4-9/h1-2,5,9,14H,3-4,6-8,12-13H2
InChIKeyZIIHAXSMKCYAQL-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.42
Rot. Bonds2

About 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine

2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine (PubChem CID 143224310) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine
PubChem CID143224310
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)CC1CCOCC1
InChIInChI=1S/C11H19N3O/c12-10-2-1-5-14-11(10,13)8-9-3-6-15-7-4-9/h1-2,5,9,14H,3-4,6-8,12-13H2
InChIKeyZIIHAXSMKCYAQL-UHFFFAOYSA-N
XLogP0.42
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-methoxypentan-2-yl]-1H-pyridine-2,3-diamine
CID 124140256
2-(oxan-4-yl)-1H-pyridine-2,5-diamine
CID 142494340
2-(oxan-4-yl)-1H-pyridine-2,3-diamine
CID 154207529
2-(4-methoxycyclohexyl)-1H-pyridine-2,3-diamine
CID 175928570

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine?
The IUPAC name of 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine (CID 143224310) is 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine is NC1=CC=CNC1(N)CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine?
The InChIKey is ZIIHAXSMKCYAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-10-2-1-5-14-11(10,13)8-9-3-6-15-7-4-9/h1-2,5,9,14H,3-4,6-8,12-13H2.
What are the key properties of 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine?
2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine has a molecular weight of 209.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-1H-pyridine-2,3-diamine is sourced from PubChem (CID 143224310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).