N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine

C17H28N2O — CID 105075023

IUPACN-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H28N2O/c1-5-18-11-14-6-7-19-12-16(14)20-15-8-13(2)9-17(3,4)10-15/h6-7,12-13,15,18H,5,8-11H2,1-4H3
InChIKeyQBHOEQGPYMICPM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.78
Rot. Bonds5

About N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine

N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine (PubChem CID 105075023) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine
PubChem CID105075023
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H28N2O/c1-5-18-11-14-6-7-19-12-16(14)20-15-8-13(2)9-17(3,4)10-15/h6-7,12-13,15,18H,5,8-11H2,1-4H3
InChIKeyQBHOEQGPYMICPM-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105075716
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine
CID 107558162
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 62597639
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
N-[[5-methyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 62456208
N-[[3-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075746
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
[3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol
CID 105067217
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105075984

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine (CID 105075023) is N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1OC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine?
The InChIKey is QBHOEQGPYMICPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-11-14-6-7-19-12-16(14)20-15-8-13(2)9-17(3,4)10-15/h6-7,12-13,15,18H,5,8-11H2,1-4H3.
What are the key properties of N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine?
N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105075023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).