2-(oxan-4-yl)-1H-pyridine-2,5-diamine

C10H17N3O — CID 142494340

IUPAC2-(oxan-4-yl)-1H-pyridine-2,5-diamine
SMILESNC1=CNC(N)(C2CCOCC2)C=C1
InChIInChI=1S/C10H17N3O/c11-9-1-4-10(12,13-7-9)8-2-5-14-6-3-8/h1,4,7-8,13H,2-3,5-6,11-12H2
InChIKeySBHCYXIWFRYUKB-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.03
Rot. Bonds1

About 2-(oxan-4-yl)-1H-pyridine-2,5-diamine

2-(oxan-4-yl)-1H-pyridine-2,5-diamine (PubChem CID 142494340) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1H-pyridine-2,5-diamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-1H-pyridine-2,5-diamine
PubChem CID142494340
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(oxan-4-yl)-1H-pyridine-2,5-diamine
SMILESNC1=CNC(N)(C2CCOCC2)C=C1
InChIInChI=1S/C10H17N3O/c11-9-1-4-10(12,13-7-9)8-2-5-14-6-3-8/h1,4,7-8,13H,2-3,5-6,11-12H2
InChIKeySBHCYXIWFRYUKB-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-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine
CID 67535619
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-ylmethyl)-1H-pyridine-2,3-diamine
CID 143224310
(2E,4E)-4-N-methyl-2-N-(oxan-4-ylmethyl)-3-prop-1-en-2-ylhepta-2,4,6-triene-2,4-diamine
CID 144055462
2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine
CID 152574327
2-(oxan-4-ylmethylamino)-1H-pyridine-2-carbonitrile
CID 152584393
ethane;(3Z)-5-methyl-N-(oxan-4-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153333975
2-(3-methoxypropyl)-1H-pyridine-2,5-diamine
CID 154193878
2-(oxan-4-yl)-1H-pyridine-2,3-diamine
CID 154207529
2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine
CID 154455033
2-(1-methoxypropan-2-yl)-1H-pyridine-2,3-diamine
CID 154455038

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1H-pyridine-2,5-diamine?
The IUPAC name of 2-(oxan-4-yl)-1H-pyridine-2,5-diamine (CID 142494340) is 2-(oxan-4-yl)-1H-pyridine-2,5-diamine.
What is the SMILES notation for 2-(oxan-4-yl)-1H-pyridine-2,5-diamine?
The canonical SMILES for 2-(oxan-4-yl)-1H-pyridine-2,5-diamine is NC1=CNC(N)(C2CCOCC2)C=C1.
What is the InChIKey of 2-(oxan-4-yl)-1H-pyridine-2,5-diamine?
The InChIKey is SBHCYXIWFRYUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-9-1-4-10(12,13-7-9)8-2-5-14-6-3-8/h1,4,7-8,13H,2-3,5-6,11-12H2.
What are the key properties of 2-(oxan-4-yl)-1H-pyridine-2,5-diamine?
2-(oxan-4-yl)-1H-pyridine-2,5-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-2,5-diamine is sourced from PubChem (CID 142494340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).