N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine

C17H28N2O — CID 62292298

IUPACN-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1OC1CCC(C)CC1
InChIInChI=1S/C17H28N2O/c1-5-18-11-16-13(3)10-14(4)19-17(16)20-15-8-6-12(2)7-9-15/h10,12,15,18H,5-9,11H2,1-4H3
InChIKeyVCDNRZHEZZNPNF-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.77
Rot. Bonds5

About N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine

N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine (PubChem CID 62292298) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine
PubChem CID62292298
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1OC1CCC(C)CC1
InChIInChI=1S/C17H28N2O/c1-5-18-11-16-13(3)10-14(4)19-17(16)20-15-8-6-12(2)7-9-15/h10,12,15,18H,5-9,11H2,1-4H3
InChIKeyVCDNRZHEZZNPNF-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine (CID 62292298) is N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1OC1CCC(C)CC1.
What is the InChIKey of N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine?
The InChIKey is VCDNRZHEZZNPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-11-16-13(3)10-14(4)19-17(16)20-15-8-6-12(2)7-9-15/h10,12,15,18H,5-9,11H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine?
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62292298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).