N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine

C16H28N2O — CID 105168889

IUPACN-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1ccc(CC)cn1)NCC
InChIInChI=1S/C16H28N2O/c1-4-10-19-11-9-16(17-6-3)12-15-8-7-14(5-2)13-18-15/h7-8,13,16-17H,4-6,9-12H2,1-3H3
InChIKeyGENOGNWYPOMVES-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.98
Rot. Bonds10

About N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine

N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine (PubChem CID 105168889) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine
PubChem CID105168889
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1ccc(CC)cn1)NCC
InChIInChI=1S/C16H28N2O/c1-4-10-19-11-9-16(17-6-3)12-15-8-7-14(5-2)13-18-15/h7-8,13,16-17H,4-6,9-12H2,1-3H3
InChIKeyGENOGNWYPOMVES-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.98
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-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105324383
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-amine
CID 79748225
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxyhexan-2-amine
CID 105168893
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-amine
CID 79732693
[1-(5-ethyl-2-pyridinyl)-3-propoxypropan-2-yl]hydrazine
CID 105209932
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79748096
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
CID 105115139
1-(5-bromo-2-pyridinyl)-N-methyl-4-propoxybutan-2-amine
CID 105180890
1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79954795
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine?
The IUPAC name of N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine (CID 105168889) is N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine.
What is the SMILES notation for N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine?
The canonical SMILES for N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine is CCCOCCC(Cc1ccc(CC)cn1)NCC.
What is the InChIKey of N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine?
The InChIKey is GENOGNWYPOMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-10-19-11-9-16(17-6-3)12-15-8-7-14(5-2)13-18-15/h7-8,13,16-17H,4-6,9-12H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine?
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine is sourced from PubChem (CID 105168889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).