N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine

C13H22N2O — CID 62289960

IUPACN-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)COc1ccc(CNC(C)C)cn1
InChIInChI=1S/C13H22N2O/c1-10(2)9-16-13-6-5-12(8-15-13)7-14-11(3)4/h5-6,8,10-11,14H,7,9H2,1-4H3
InChIKeyPGHCISMUVICQNP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.61
Rot. Bonds6

About N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62289960) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62289960
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)COc1ccc(CNC(C)C)cn1
InChIInChI=1S/C13H22N2O/c1-10(2)9-16-13-6-5-12(8-15-13)7-14-11(3)4/h5-6,8,10-11,14H,7,9H2,1-4H3
InChIKeyPGHCISMUVICQNP-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
N-[[6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 103180844
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291428
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296185
N-[[2-methyl-6-(2-methylpropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 113379479
N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine
CID 114342292
N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62321526
N-[[6-(oxolan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 63556915
(2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine
CID 97341149

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62289960) is N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)COc1ccc(CNC(C)C)cn1.
What is the InChIKey of N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is PGHCISMUVICQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)9-16-13-6-5-12(8-15-13)7-14-11(3)4/h5-6,8,10-11,14H,7,9H2,1-4H3.
What are the key properties of N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62289960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).