N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine

C15H26N2O3 — CID 81093253

IUPACN-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine
SMILESCCOC(CCNc1cccnc1OC(C)C)OCC
InChIInChI=1S/C15H26N2O3/c1-5-18-14(19-6-2)9-11-16-13-8-7-10-17-15(13)20-12(3)4/h7-8,10,12,14,16H,5-6,9,11H2,1-4H3
InChIKeyYPKZZOTVTUPIEB-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.07
Rot. Bonds10

About N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine

N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine (PubChem CID 81093253) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine
PubChem CID81093253
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine
SMILESCCOC(CCNc1cccnc1OC(C)C)OCC
InChIInChI=1S/C15H26N2O3/c1-5-18-14(19-6-2)9-11-16-13-8-7-10-17-15(13)20-12(3)4/h7-8,10,12,14,16H,5-6,9,11H2,1-4H3
InChIKeyYPKZZOTVTUPIEB-UHFFFAOYSA-N
XLogP3.07
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333
N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379623
2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
CID 79359765
N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine
CID 113436858
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 103001068
N-(3,3-diethoxypropyl)-2-ethylaniline
CID 81094600
N-(3,3-diethoxypropyl)naphthalen-1-amine
CID 81094321
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine (CID 81093253) is N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine is CCOC(CCNc1cccnc1OC(C)C)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is YPKZZOTVTUPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-18-14(19-6-2)9-11-16-13-8-7-10-17-15(13)20-12(3)4/h7-8,10,12,14,16H,5-6,9,11H2,1-4H3.
What are the key properties of N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine?
N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 282.38 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 81093253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).