N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine

C13H22N2O2 — CID 113436858

IUPACN-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine
SMILESCOCCCCNc1cccnc1OC(C)C
InChIInChI=1S/C13H22N2O2/c1-11(2)17-13-12(7-6-9-15-13)14-8-4-5-10-16-3/h6-7,9,11,14H,4-5,8,10H2,1-3H3
InChIKeyUTJBWSCSYADJCJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.71
Rot. Bonds8

About N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine

N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine (PubChem CID 113436858) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine
PubChem CID113436858
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine
SMILESCOCCCCNc1cccnc1OC(C)C
InChIInChI=1S/C13H22N2O2/c1-11(2)17-13-12(7-6-9-15-13)14-8-4-5-10-16-3/h6-7,9,11,14H,4-5,8,10H2,1-3H3
InChIKeyUTJBWSCSYADJCJ-UHFFFAOYSA-N
XLogP2.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
CID 79359765
N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379623
N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine
CID 81093253
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 103001068
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 62416078
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
2-ethoxy-N-octylpyridin-3-amine
CID 43706171
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine (CID 113436858) is N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine is COCCCCNc1cccnc1OC(C)C.
What is the InChIKey of N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is UTJBWSCSYADJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(2)17-13-12(7-6-9-15-13)14-8-4-5-10-16-3/h6-7,9,11,14H,4-5,8,10H2,1-3H3.
What are the key properties of N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine?
N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 113436858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).