3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine

C15H26N2O2 — CID 105176221

IUPAC3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
SMILESCCNC(CCOCC)c1cncc(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-5-17-15(7-8-18-6-2)13-9-14(11-16-10-13)19-12(3)4/h9-12,15,17H,5-8H2,1-4H3
InChIKeyXWSALDZSCUNMHO-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.95
Rot. Bonds9

About 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine

3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine (PubChem CID 105176221) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
PubChem CID105176221
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
SMILESCCNC(CCOCC)c1cncc(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-5-17-15(7-8-18-6-2)13-9-14(11-16-10-13)19-12(3)4/h9-12,15,17H,5-8H2,1-4H3
InChIKeyXWSALDZSCUNMHO-UHFFFAOYSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.95
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-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-amine
CID 105027344
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105176094
2-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)pentan-1-amine
CID 116718083
N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
[3-ethoxy-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 105328621
3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 103148933
N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
CID 105027295
[3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butyl]hydrazine
CID 105220430
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 116714615
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027336
[4-ethoxy-1-(5-methoxy-3-pyridinyl)butyl]hydrazine
CID 105329751

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine (CID 105176221) is 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine is CCNC(CCOCC)c1cncc(OC(C)C)c1.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine?
The InChIKey is XWSALDZSCUNMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-17-15(7-8-18-6-2)13-9-14(11-16-10-13)19-12(3)4/h9-12,15,17H,5-8H2,1-4H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine?
3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 105176221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).