2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine

C13H22N2O — CID 62292233

IUPAC2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCOc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C13H22N2O/c1-5-9-16-12-8-6-7-11(15-12)10-14-13(2,3)4/h6-8,14H,5,9-10H2,1-4H3
InChIKeyQQRYHBILBIYKRE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.76
Rot. Bonds5

About 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine

2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine (PubChem CID 62292233) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
PubChem CID62292233
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCOc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C13H22N2O/c1-5-9-16-12-8-6-7-11(15-12)10-14-13(2,3)4/h6-8,14H,5,9-10H2,1-4H3
InChIKeyQQRYHBILBIYKRE-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62291181
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
CID 66226819
N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62298097
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
N-[(6-cyclopentyloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289891
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[[6-[2-(diethylamino)ethoxymethyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908088
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63647366
N-[[6-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114342313

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine (CID 62292233) is 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine is CCCOc1cccc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is QQRYHBILBIYKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-9-16-12-8-6-7-11(15-12)10-14-13(2,3)4/h6-8,14H,5,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine?
2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 62292233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).