6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine

C10H15N3O2 — CID 80647845

IUPAC6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine
SMILESNc1cccc(NCC2COCCO2)n1
InChIInChI=1S/C10H15N3O2/c11-9-2-1-3-10(13-9)12-6-8-7-14-4-5-15-8/h1-3,8H,4-7H2,(H3,11,12,13)
InChIKeyFFMBSMPQXRMXRU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.49
Rot. Bonds3

About 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine

6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine (PubChem CID 80647845) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine
PubChem CID80647845
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine
SMILESNc1cccc(NCC2COCCO2)n1
InChIInChI=1S/C10H15N3O2/c11-9-2-1-3-10(13-9)12-6-8-7-14-4-5-15-8/h1-3,8H,4-7H2,(H3,11,12,13)
InChIKeyFFMBSMPQXRMXRU-UHFFFAOYSA-N
XLogP0.49
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
CID 80646699
N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine
CID 47292946
2-N-(1,4-dioxan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 115550175
4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955282
4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80797541
6-chloro-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545295
2-N-(1,4-dioxan-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79891097
2-(1,4-dioxan-2-ylmethylamino)pyridine-4-carbothioamide
CID 54908352
4-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80797035
6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 86285322
2-tert-butyl-4-N-(1,4-dioxan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80986815
4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967954

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine (CID 80647845) is 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine is Nc1cccc(NCC2COCCO2)n1.
What is the InChIKey of 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine?
The InChIKey is FFMBSMPQXRMXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-9-2-1-3-10(13-9)12-6-8-7-14-4-5-15-8/h1-3,8H,4-7H2,(H3,11,12,13).
What are the key properties of 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine?
6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine has a molecular weight of 209.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80647845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).