N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine

C16H28N2O — CID 83124328

IUPACN-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
SMILESCCCCCCCOc1ccc(C(C)NCC)nc1
InChIInChI=1S/C16H28N2O/c1-4-6-7-8-9-12-19-15-10-11-16(18-13-15)14(3)17-5-2/h10-11,13-14,17H,4-9,12H2,1-3H3
InChIKeyXHOOCTAPRZTXJH-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.10
Rot. Bonds10

About N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine

N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine (PubChem CID 83124328) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
PubChem CID83124328
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
SMILESCCCCCCCOc1ccc(C(C)NCC)nc1
InChIInChI=1S/C16H28N2O/c1-4-6-7-8-9-12-19-15-10-11-16(18-13-15)14(3)17-5-2/h10-11,13-14,17H,4-9,12H2,1-3H3
InChIKeyXHOOCTAPRZTXJH-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123208
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]ethanamine
CID 103178120
N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine
CID 83109421
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine
CID 83126880
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine (CID 83124328) is N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine is CCCCCCCOc1ccc(C(C)NCC)nc1.
What is the InChIKey of N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine?
The InChIKey is XHOOCTAPRZTXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-6-7-8-9-12-19-15-10-11-16(18-13-15)14(3)17-5-2/h10-11,13-14,17H,4-9,12H2,1-3H3.
What are the key properties of N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine?
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine has a molecular weight of 264.41 g/mol, XLogP of 4.10, 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-heptoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 83124328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).