N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine

C16H26N2O — CID 79775454

IUPACN-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCC(CC)C2)cn1
InChIInChI=1S/C16H26N2O/c1-3-13-6-5-7-15(10-13)19-16-9-8-14(18-12-16)11-17-4-2/h8-9,12-13,15,17H,3-7,10-11H2,1-2H3
InChIKeyTZDMVAUPZKFNTH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds6

About N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine

N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine (PubChem CID 79775454) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
PubChem CID79775454
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCC(CC)C2)cn1
InChIInChI=1S/C16H26N2O/c1-3-13-6-5-7-15(10-13)19-16-9-8-14(18-12-16)11-17-4-2/h8-9,12-13,15,17H,3-7,10-11H2,1-2H3
InChIKeyTZDMVAUPZKFNTH-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
CID 79776260
2-methoxy-N-[[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
CID 79789241
5-cyclopentyloxy-2-ethylpyridine
CID 143839815
N-[[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 79781294
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
N-methyl-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79776751
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
CID 107669082
N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine
CID 163383215
N-[(4-cycloheptyloxy-2-pyridinyl)methyl]ethanamine
CID 62297885
4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine
CID 113368158
N-[[5-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79788749

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine (CID 79775454) is N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine is CCNCc1ccc(OC2CCCC(CC)C2)cn1.
What is the InChIKey of N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine?
The InChIKey is TZDMVAUPZKFNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-13-6-5-7-15(10-13)19-16-9-8-14(18-12-16)11-17-4-2/h8-9,12-13,15,17H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine?
N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79775454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).