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

C13H22N2O2 — CID 79781881

IUPACN-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCOCC(C)Oc1ccc(CNC(C)C)nc1
InChIInChI=1S/C13H22N2O2/c1-10(2)14-7-12-5-6-13(8-15-12)17-11(3)9-16-4/h5-6,8,10-11,14H,7,9H2,1-4H3
InChIKeyHQZUKTFTOYMWGB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.99
Rot. Bonds7

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

N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79781881) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID79781881
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCOCC(C)Oc1ccc(CNC(C)C)nc1
InChIInChI=1S/C13H22N2O2/c1-10(2)14-7-12-5-6-13(8-15-12)17-11(3)9-16-4/h5-6,8,10-11,14H,7,9H2,1-4H3
InChIKeyHQZUKTFTOYMWGB-UHFFFAOYSA-N
XLogP1.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79794727
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784006
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781493
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
CID 83037341
N-[[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 116615138
N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999859
butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate
CID 79782868
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79793947

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine (CID 79781881) is N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine is COCC(C)Oc1ccc(CNC(C)C)nc1.
What is the InChIKey of N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is HQZUKTFTOYMWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)14-7-12-5-6-13(8-15-12)17-11(3)9-16-4/h5-6,8,10-11,14H,7,9H2,1-4H3.
What are the key properties of N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79781881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).