N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C16H26N2O2 — CID 116765942

IUPACN-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1(OCC)CCOCC1
InChIInChI=1S/C16H26N2O2/c1-4-17-15(14-7-6-13(3)18-12-14)16(20-5-2)8-10-19-11-9-16/h6-7,12,15,17H,4-5,8-11H2,1-3H3
InChIKeyVNFNTPCDXBFTSE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.63
Rot. Bonds6

About N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 116765942) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID116765942
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1(OCC)CCOCC1
InChIInChI=1S/C16H26N2O2/c1-4-17-15(14-7-6-13(3)18-12-14)16(20-5-2)8-10-19-11-9-16/h6-7,12,15,17H,4-5,8-11H2,1-3H3
InChIKeyVNFNTPCDXBFTSE-UHFFFAOYSA-N
XLogP2.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 116765796
N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 116765908
N-[(4-ethoxyoxan-4-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 116765818
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 116765859
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765938
N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 116766028
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 116765942) is N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)C1(OCC)CCOCC1.
What is the InChIKey of N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is VNFNTPCDXBFTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-17-15(14-7-6-13(3)18-12-14)16(20-5-2)8-10-19-11-9-16/h6-7,12,15,17H,4-5,8-11H2,1-3H3.
What are the key properties of N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 116765942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).