N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine

C13H22N2O — CID 115619035

IUPACN-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine
SMILESCCNC(CCCOC)c1cc(C)ccn1
InChIInChI=1S/C13H22N2O/c1-4-14-12(6-5-9-16-3)13-10-11(2)7-8-15-13/h7-8,10,12,14H,4-6,9H2,1-3H3
InChIKeyIZYBSZYHNBYDIA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.47
Rot. Bonds7

About N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine

N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine (PubChem CID 115619035) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine
PubChem CID115619035
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine
SMILESCCNC(CCCOC)c1cc(C)ccn1
InChIInChI=1S/C13H22N2O/c1-4-14-12(6-5-9-16-3)13-10-11(2)7-8-15-13/h7-8,10,12,14H,4-6,9H2,1-3H3
InChIKeyIZYBSZYHNBYDIA-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.47
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

N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
CID 63839591
N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine
CID 79185322
1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
CID 63840406
N-ethyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038281
N-ethyl-2-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 55259074
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine
CID 114856913
N-ethyl-2-(4-ethylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63841394
N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977818
N,5-dimethyl-1-(4-methyl-2-pyridinyl)hexan-1-amine
CID 83161254
N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine
CID 114856593
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840247
2-(2-methoxyethoxy)-N-[1-(4-methyl-2-pyridinyl)propyl]acetamide
CID 118784285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine (CID 115619035) is N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine is CCNC(CCCOC)c1cc(C)ccn1.
What is the InChIKey of N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine?
The InChIKey is IZYBSZYHNBYDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-14-12(6-5-9-16-3)13-10-11(2)7-8-15-13/h7-8,10,12,14H,4-6,9H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine?
N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine is sourced from PubChem (CID 115619035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).