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

C16H26N2O — CID 79776260

IUPACN-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCCC2CC)cn1
InChIInChI=1S/C16H26N2O/c1-3-13-7-5-6-8-16(13)19-15-10-9-14(18-12-15)11-17-4-2/h9-10,12-13,16-17H,3-8,11H2,1-2H3
InChIKeyVVTYSQUQHNMULE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds6

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

N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine (PubChem CID 79776260) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
PubChem CID79776260
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCCC2CC)cn1
InChIInChI=1S/C16H26N2O/c1-3-13-7-5-6-8-16(13)19-15-10-9-14(18-12-15)11-17-4-2/h9-10,12-13,16-17H,3-8,11H2,1-2H3
InChIKeyVVTYSQUQHNMULE-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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine (CID 79776260) is N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine is CCNCc1ccc(OC2CCCCC2CC)cn1.
What is the InChIKey of N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine?
The InChIKey is VVTYSQUQHNMULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-13-7-5-6-8-16(13)19-15-10-9-14(18-12-15)11-17-4-2/h9-10,12-13,16-17H,3-8,11H2,1-2H3.
What are the key properties of N-[[5-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine?
N-[[5-(2-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-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79776260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).