N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine

C17H30N2O2 — CID 116719078

IUPACN-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine
SMILESCCCC(OC)C(Cc1ncc(C)c(OC)c1C)NCC
InChIInChI=1S/C17H30N2O2/c1-7-9-16(20-5)15(18-8-2)10-14-13(4)17(21-6)12(3)11-19-14/h11,15-16,18H,7-10H2,1-6H3
InChIKeyHGPHIVPIBYTJSL-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.04
Rot. Bonds9

About N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine

N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine (PubChem CID 116719078) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine
PubChem CID116719078
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine
SMILESCCCC(OC)C(Cc1ncc(C)c(OC)c1C)NCC
InChIInChI=1S/C17H30N2O2/c1-7-9-16(20-5)15(18-8-2)10-14-13(4)17(21-6)12(3)11-19-14/h11,15-16,18H,7-10H2,1-6H3
InChIKeyHGPHIVPIBYTJSL-UHFFFAOYSA-N
XLogP3.04
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115843933
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfanylpropan-2-amine
CID 62691956
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79412204
1-cyclopentyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601412
1-cyclohexyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601994
N-ethyl-5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 105136877
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine
CID 115843906
1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine
CID 115844014
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine (CID 116719078) is N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine is CCCC(OC)C(Cc1ncc(C)c(OC)c1C)NCC.
What is the InChIKey of N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine?
The InChIKey is HGPHIVPIBYTJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-9-16(20-5)15(18-8-2)10-14-13(4)17(21-6)12(3)11-19-14/h11,15-16,18H,7-10H2,1-6H3.
What are the key properties of N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine?
N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine is sourced from PubChem (CID 116719078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).