N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine

C14H24N2O — CID 114856842

IUPACN-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1ccncc1CC
InChIInChI=1S/C14H24N2O/c1-4-12-11-15-9-8-13(12)14(16-5-2)7-6-10-17-3/h8-9,11,14,16H,4-7,10H2,1-3H3
InChIKeyFDJBZOIMNYEKQN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.72
Rot. Bonds8

About N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine

N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine (PubChem CID 114856842) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine
PubChem CID114856842
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1ccncc1CC
InChIInChI=1S/C14H24N2O/c1-4-12-11-15-9-8-13(12)14(16-5-2)7-6-10-17-3/h8-9,11,14,16H,4-7,10H2,1-3H3
InChIKeyFDJBZOIMNYEKQN-UHFFFAOYSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.72
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

[1-(3-ethyl-4-pyridinyl)-4-methoxybutyl]hydrazine
CID 105262232
[1-(3-ethyl-4-pyridinyl)-2-methoxyethyl]hydrazine
CID 105262260
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
N-ethyl-3-methoxy-1-pyridin-3-ylpropan-1-amine
CID 61412717
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-methylpentan-1-amine
CID 114013828
N-ethyl-4-methoxy-1-(2-methylsulfanylphenyl)butan-1-amine
CID 105054904
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374281
N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
CID 105065659
N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
CID 105065948
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine (CID 114856842) is N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine is CCNC(CCCOC)c1ccncc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine?
The InChIKey is FDJBZOIMNYEKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-12-11-15-9-8-13(12)14(16-5-2)7-6-10-17-3/h8-9,11,14,16H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine?
N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 114856842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).