N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine

C17H28N2O — CID 79748470

IUPACN-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cn1)C1CCOCC1
InChIInChI=1S/C17H28N2O/c1-3-9-18-17(15-7-10-20-11-8-15)12-16-6-5-14(4-2)13-19-16/h5-6,13,15,17-18H,3-4,7-12H2,1-2H3
InChIKeyQILXIVFFTINPNT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine

N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 79748470) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID79748470
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cn1)C1CCOCC1
InChIInChI=1S/C17H28N2O/c1-3-9-18-17(15-7-10-20-11-8-15)12-16-6-5-14(4-2)13-19-16/h5-6,13,15,17-18H,3-4,7-12H2,1-2H3
InChIKeyQILXIVFFTINPNT-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-ethylcyclopentyl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 79740447
N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 115824336
[2-(5-ethyl-2-pyridinyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229310
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79740147
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
3-[2-(oxan-4-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 65334878
1-(5-ethyl-2-pyridinyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987022
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 63936289

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine (CID 79748470) is N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)cn1)C1CCOCC1.
What is the InChIKey of N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is QILXIVFFTINPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-9-18-17(15-7-10-20-11-8-15)12-16-6-5-14(4-2)13-19-16/h5-6,13,15,17-18H,3-4,7-12H2,1-2H3.
What are the key properties of N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79748470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).