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

C16H26N2O2 — CID 115824336

IUPACN-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cn1)C1COCCO1
InChIInChI=1S/C16H26N2O2/c1-3-7-17-15(16-12-19-8-9-20-16)10-14-6-5-13(4-2)11-18-14/h5-6,11,15-17H,3-4,7-10,12H2,1-2H3
InChIKeyWFJWGOOPQCYVRT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.97
Rot. Bonds7

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

N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 115824336) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID115824336
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cn1)C1COCCO1
InChIInChI=1S/C16H26N2O2/c1-3-7-17-15(16-12-19-8-9-20-16)10-14-6-5-13(4-2)11-18-14/h5-6,11,15-17H,3-4,7-10,12H2,1-2H3
InChIKeyWFJWGOOPQCYVRT-UHFFFAOYSA-N
XLogP1.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 79748470
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352897
1-(1,4-dioxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 65352692
N-[2-(4-chloro-3-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 107891917
N-[1-(3-ethylcyclopentyl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 79740447
N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
[2-(5-ethyl-2-pyridinyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229310
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459
N-[2-(3-bromo-4-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352752
N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65353005
N-[2-(3-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352896
1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
CID 65352894

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine (CID 115824336) is N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)cn1)C1COCCO1.
What is the InChIKey of N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is WFJWGOOPQCYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-7-17-15(16-12-19-8-9-20-16)10-14-6-5-13(4-2)11-18-14/h5-6,11,15-17H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 115824336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).