1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine

C12H18N2O2 — CID 103546894

IUPAC1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine
SMILESCNC(Cc1ccncc1)CC1OCCO1
InChIInChI=1S/C12H18N2O2/c1-13-11(9-12-15-6-7-16-12)8-10-2-4-14-5-3-10/h2-5,11-13H,6-9H2,1H3
InChIKeyNQHFIEPYBYJFSI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds5

About 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine

1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine (PubChem CID 103546894) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine
PubChem CID103546894
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine
SMILESCNC(Cc1ccncc1)CC1OCCO1
InChIInChI=1S/C12H18N2O2/c1-13-11(9-12-15-6-7-16-12)8-10-2-4-14-5-3-10/h2-5,11-13H,6-9H2,1H3
InChIKeyNQHFIEPYBYJFSI-UHFFFAOYSA-N
XLogP0.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethoxyethyl)pyridine-4-methylamine
CID 96638
Doxpicomine
CID 71587215
2,2-Diethoxy-n-(pyridin-3-ylmethyl)ethanamine
CID 252152
2-(Oxolan-3-yl)-1-(pyridin-3-yl)ethan-1-amine
CID 22992279
3-(2,2-Diethoxyethyl)pyridine
CID 86775910
2-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 44409947
n-(Pyridin-4-ylmethyl)-2-(tetrahydrofuran-2-yl)ethan-1-amine
CID 53529212
1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 84596741
3-[3-(5-Heptyloxolan-2-yl)oxypropyl]pyridine
CID 44283915
4-Methoxy-1-(pyridin-3-yl)butan-1-amine
CID 21156658
3-(Oxolan-2-yl)-1-(pyridin-3-yl)propan-1-amine
CID 65167076
3-Methoxy-1-(pyridin-3-yl)propan-1-amine dihydrochloride
CID 126809352

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine (CID 103546894) is 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine is CNC(Cc1ccncc1)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
The InChIKey is NQHFIEPYBYJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-11(9-12-15-6-7-16-12)8-10-2-4-14-5-3-10/h2-5,11-13H,6-9H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine has a molecular weight of 222.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 103546894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).