4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine

C15H26N2O — CID 105146367

IUPAC4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1ccc(C)nc1
InChIInChI=1S/C15H26N2O/c1-4-10-16-15(7-6-11-18-5-2)14-9-8-13(3)17-12-14/h8-9,12,15-16H,4-7,10-11H2,1-3H3
InChIKeyGNSNTHFYPAYTRT-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.25
Rot. Bonds9

About 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine

4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine (PubChem CID 105146367) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
PubChem CID105146367
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1ccc(C)nc1
InChIInChI=1S/C15H26N2O/c1-4-10-16-15(7-6-11-18-5-2)14-9-8-13(3)17-12-14/h8-9,12,15-16H,4-7,10-11H2,1-3H3
InChIKeyGNSNTHFYPAYTRT-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 63155921
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155925
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
CID 105096914
N-methyl-1-(6-methyl-3-pyridinyl)nonan-1-amine
CID 115854494

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine (CID 105146367) is 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine is CCCNC(CCCOCC)c1ccc(C)nc1.
What is the InChIKey of 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The InChIKey is GNSNTHFYPAYTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-10-16-15(7-6-11-18-5-2)14-9-8-13(3)17-12-14/h8-9,12,15-16H,4-7,10-11H2,1-3H3.
What are the key properties of 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine is sourced from PubChem (CID 105146367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).