N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine

C11H18N2O — CID 86341870

IUPACN-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine
SMILESCN(C1CCOCC1)C1C=CC=CN1
InChIInChI=1S/C11H18N2O/c1-13(10-5-8-14-9-6-10)11-4-2-3-7-12-11/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeyVFIKRKNOOAYIRG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.10
Rot. Bonds2

About N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine

N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine (PubChem CID 86341870) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine
PubChem CID86341870
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine
SMILESCN(C1CCOCC1)C1C=CC=CN1
InChIInChI=1S/C11H18N2O/c1-13(10-5-8-14-9-6-10)11-4-2-3-7-12-11/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeyVFIKRKNOOAYIRG-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine (CID 86341870) is N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine is CN(C1CCOCC1)C1C=CC=CN1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine?
The InChIKey is VFIKRKNOOAYIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(10-5-8-14-9-6-10)11-4-2-3-7-12-11/h2-4,7,10-12H,5-6,8-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine?
N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 86341870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).