3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine

C11H17N3O2 — CID 65352984

IUPAC3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1cccnc1N)C1COCCO1
InChIInChI=1S/C11H17N3O2/c1-13-10(9-7-15-5-6-16-9)8-3-2-4-14-11(8)12/h2-4,9-10,13H,5-7H2,1H3,(H2,12,14)
InChIKeyKKVMDUYQSLWJCM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.34
Rot. Bonds3

About 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine

3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine (PubChem CID 65352984) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine
PubChem CID65352984
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1cccnc1N)C1COCCO1
InChIInChI=1S/C11H17N3O2/c1-13-10(9-7-15-5-6-16-9)8-3-2-4-14-11(8)12/h2-4,9-10,13H,5-7H2,1H3,(H2,12,14)
InChIKeyKKVMDUYQSLWJCM-UHFFFAOYSA-N
XLogP0.34
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine
CID 79962941
3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79093449
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105036000
3-[2,3-dihydro-1,4-benzoxathiin-2-yl(methylamino)methyl]pyridin-2-amine
CID 106601485
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 65352324
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045
1-(2,5-dimethylfuran-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62805801
1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800274
1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800261
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 113250532
1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 62800106
3-[hydrazinyl-(4-propylmorpholin-2-yl)methyl]pyridin-2-amine
CID 105247869

Frequently Asked Questions

What is the IUPAC name of 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine (CID 65352984) is 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine is CNC(c1cccnc1N)C1COCCO1.
What is the InChIKey of 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine?
The InChIKey is KKVMDUYQSLWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-10(9-7-15-5-6-16-9)8-3-2-4-14-11(8)12/h2-4,9-10,13H,5-7H2,1H3,(H2,12,14).
What are the key properties of 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine?
3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 65352984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).