N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine

C10H18N2O — CID 156867701

IUPACN-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine
SMILESCNCC(C)OC1=NCCC(C)=C1
InChIInChI=1S/C10H18N2O/c1-8-4-5-12-10(6-8)13-9(2)7-11-3/h6,9,11H,4-5,7H2,1-3H3
InChIKeyZALFNOKHMZVYOE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.36
Rot. Bonds3

About N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine

N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine (PubChem CID 156867701) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine
PubChem CID156867701
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine
SMILESCNCC(C)OC1=NCCC(C)=C1
InChIInChI=1S/C10H18N2O/c1-8-4-5-12-10(6-8)13-9(2)7-11-3/h6,9,11H,4-5,7H2,1-3H3
InChIKeyZALFNOKHMZVYOE-UHFFFAOYSA-N
XLogP1.36
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine?
The IUPAC name of N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine (CID 156867701) is N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine is CNCC(C)OC1=NCCC(C)=C1.
What is the InChIKey of N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine?
The InChIKey is ZALFNOKHMZVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-4-5-12-10(6-8)13-9(2)7-11-3/h6,9,11H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine?
N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine is sourced from PubChem (CID 156867701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).