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

C17H30N2O — CID 115843906

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine
SMILESCCCCCCC(Cc1ncc(C)c(OC)c1C)NC
InChIInChI=1S/C17H30N2O/c1-6-7-8-9-10-15(18-4)11-16-14(3)17(20-5)13(2)12-19-16/h12,15,18H,6-11H2,1-5H3
InChIKeyWCQAYEZALMJDCV-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.81
Rot. Bonds9

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

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine (PubChem CID 115843906) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine
PubChem CID115843906
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine
SMILESCCCCCCC(Cc1ncc(C)c(OC)c1C)NC
InChIInChI=1S/C17H30N2O/c1-6-7-8-9-10-15(18-4)11-16-14(3)17(20-5)13(2)12-19-16/h12,15,18H,6-11H2,1-5H3
InChIKeyWCQAYEZALMJDCV-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115843933
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79412204
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131604
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 115601880
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfanylpropan-2-amine
CID 62691956
1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 62600019
N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine
CID 116719078
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 115844027

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine (CID 115843906) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine is CCCCCCC(Cc1ncc(C)c(OC)c1C)NC.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine?
The InChIKey is WCQAYEZALMJDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-7-8-9-10-15(18-4)11-16-14(3)17(20-5)13(2)12-19-16/h12,15,18H,6-11H2,1-5H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine is sourced from PubChem (CID 115843906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).