N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine

C13H22N2O — CID 112584711

IUPACN-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(NC)c1ccc(OCC(C)C)cn1
InChIInChI=1S/C13H22N2O/c1-5-12(14-4)13-7-6-11(8-15-13)16-9-10(2)3/h6-8,10,12,14H,5,9H2,1-4H3
InChIKeySHOSNTKQNSJVTL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.79
Rot. Bonds6

About N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine

N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine (PubChem CID 112584711) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine
PubChem CID112584711
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(NC)c1ccc(OCC(C)C)cn1
InChIInChI=1S/C13H22N2O/c1-5-12(14-4)13-7-6-11(8-15-13)16-9-10(2)3/h6-8,10,12,14H,5,9H2,1-4H3
InChIKeySHOSNTKQNSJVTL-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 83127836
N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine
CID 112584809
1-[5-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]-N-methylpropan-1-amine
CID 103403032
N-methyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584876
1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine
CID 112584679
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79775957
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939916
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(5-propan-2-yloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584724

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine (CID 112584711) is N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine is CCC(NC)c1ccc(OCC(C)C)cn1.
What is the InChIKey of N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is SHOSNTKQNSJVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-12(14-4)13-7-6-11(8-15-13)16-9-10(2)3/h6-8,10,12,14H,5,9H2,1-4H3.
What are the key properties of N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine?
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112584711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).