1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine

C11H16N2O2 — CID 60960687

IUPAC1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCC2COCCO2)nc1
InChIInChI=1S/C11H16N2O2/c1-2-4-13-10(3-1)7-12-8-11-9-14-5-6-15-11/h1-4,11-12H,5-9H2
InChIKeyLEVAOXRVPVYMBD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.59
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine

1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 60960687) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID60960687
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCC2COCCO2)nc1
InChIInChI=1S/C11H16N2O2/c1-2-4-13-10(3-1)7-12-8-11-9-14-5-6-15-11/h1-4,11-12H,5-9H2
InChIKeyLEVAOXRVPVYMBD-UHFFFAOYSA-N
XLogP0.59
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine
CID 97338222
1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63002116
N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 115959206
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 54893724
3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
1-(1,4-dioxan-2-yl)-N-[(4-iodophenyl)methyl]methanamine
CID 65477569
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 64799891
1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine
CID 80702051
2-[2-[(1,4-dioxan-2-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54908924
1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol
CID 61023804
N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 60961630
4-[(1,4-dioxan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 54907352

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 60960687) is 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CNCC2COCCO2)nc1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is LEVAOXRVPVYMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-4-13-10(3-1)7-12-8-11-9-14-5-6-15-11/h1-4,11-12H,5-9H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 208.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 60960687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).