3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine

C16H27N3O2 — CID 116765898

IUPAC3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(Cc1cccnc1N)C1(OCC)CCOCC1
InChIInChI=1S/C16H27N3O2/c1-3-18-14(12-13-6-5-9-19-15(13)17)16(21-4-2)7-10-20-11-8-16/h5-6,9,14,18H,3-4,7-8,10-12H2,1-2H3,(H2,17,19)
InChIKeyUHXFZHIEDFZEAU-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.77
Rot. Bonds7

About 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine

3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine (PubChem CID 116765898) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine
PubChem CID116765898
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(Cc1cccnc1N)C1(OCC)CCOCC1
InChIInChI=1S/C16H27N3O2/c1-3-18-14(12-13-6-5-9-19-15(13)17)16(21-4-2)7-10-20-11-8-16/h5-6,9,14,18H,3-4,7-8,10-12H2,1-2H3,(H2,17,19)
InChIKeyUHXFZHIEDFZEAU-UHFFFAOYSA-N
XLogP1.77
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 116767017
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 116765952
[2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276967
[1-(4-ethoxyoxan-4-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105276863
3-[2-hydrazinyl-2-(1-methylcyclopropyl)ethyl]pyridin-2-amine
CID 105253544
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051149
N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 116765942
1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 116764064
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
(2-amino-4-methyl-3-pyridinyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754132

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine (CID 116765898) is 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine is CCNC(Cc1cccnc1N)C1(OCC)CCOCC1.
What is the InChIKey of 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine?
The InChIKey is UHXFZHIEDFZEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-18-14(12-13-6-5-9-19-15(13)17)16(21-4-2)7-10-20-11-8-16/h5-6,9,14,18H,3-4,7-8,10-12H2,1-2H3,(H2,17,19).
What are the key properties of 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine?
3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine has a molecular weight of 293.41 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 116765898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).