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

C18H32N2O — CID 115843933

IUPACN-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
SMILESCCCCCCC(Cc1ncc(C)c(OC)c1C)NCC
InChIInChI=1S/C18H32N2O/c1-6-8-9-10-11-16(19-7-2)12-17-15(4)18(21-5)14(3)13-20-17/h13,16,19H,6-12H2,1-5H3
InChIKeyANJIMEYCGNDOTC-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.20
Rot. Bonds10

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

N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine (PubChem CID 115843933) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
PubChem CID115843933
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
SMILESCCCCCCC(Cc1ncc(C)c(OC)c1C)NCC
InChIInChI=1S/C18H32N2O/c1-6-8-9-10-11-16(19-7-2)12-17-15(4)18(21-5)14(3)13-20-17/h13,16,19H,6-12H2,1-5H3
InChIKeyANJIMEYCGNDOTC-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.20
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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Launch Full Analysis

Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine
CID 115843906
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79412204
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfanylpropan-2-amine
CID 62691956
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
N-ethyl-5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 105136877
N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine
CID 116719078
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 115601880
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-thiophen-3-ylpropan-2-amine
CID 105136873
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131604
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine (CID 115843933) is N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine is CCCCCCC(Cc1ncc(C)c(OC)c1C)NCC.
What is the InChIKey of N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine?
The InChIKey is ANJIMEYCGNDOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-8-9-10-11-16(19-7-2)12-17-15(4)18(21-5)14(3)13-20-17/h13,16,19H,6-12H2,1-5H3.
What are the key properties of N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine?
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine is sourced from PubChem (CID 115843933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).