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

C10H17N3O — CID 154207529

IUPAC2-(oxan-4-yl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)C1CCOCC1
InChIInChI=1S/C10H17N3O/c11-9-2-1-5-13-10(9,12)8-3-6-14-7-4-8/h1-2,5,8,13H,3-4,6-7,11-12H2
InChIKeyZYUKDGFSICPLSR-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.03
Rot. Bonds1

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

2-(oxan-4-yl)-1H-pyridine-2,3-diamine (PubChem CID 154207529) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-1H-pyridine-2,3-diamine
PubChem CID154207529
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(oxan-4-yl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)C1CCOCC1
InChIInChI=1S/C10H17N3O/c11-9-2-1-5-13-10(9,12)8-3-6-14-7-4-8/h1-2,5,8,13H,3-4,6-7,11-12H2
InChIKeyZYUKDGFSICPLSR-UHFFFAOYSA-N
XLogP0.03
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Oxan-4-yl)-1,2-dihydropyridin-5-amine
CID 89877304
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-ylmethyl)-1H-pyridine-2,3-diamine
CID 143224310
2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine
CID 154455033
2-(1-methoxypropan-2-yl)-1H-pyridine-2,3-diamine
CID 154455038
2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine
CID 172802718
2-(oxolan-3-yl)-1H-pyridine-2,3-diamine
CID 175173560
2-(3-methyloxolan-3-yl)-3-N-(oxan-4-yl)-1H-pyridine-2,3-diamine
CID 176025628

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1H-pyridine-2,3-diamine?
The IUPAC name of 2-(oxan-4-yl)-1H-pyridine-2,3-diamine (CID 154207529) is 2-(oxan-4-yl)-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-(oxan-4-yl)-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-(oxan-4-yl)-1H-pyridine-2,3-diamine is NC1=CC=CNC1(N)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-1H-pyridine-2,3-diamine?
The InChIKey is ZYUKDGFSICPLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-9-2-1-5-13-10(9,12)8-3-6-14-7-4-8/h1-2,5,8,13H,3-4,6-7,11-12H2.
What are the key properties of 2-(oxan-4-yl)-1H-pyridine-2,3-diamine?
2-(oxan-4-yl)-1H-pyridine-2,3-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1H-pyridine-2,3-diamine is sourced from PubChem (CID 154207529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).