[2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine

C16H26N2O — CID 114342332

IUPAC[2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine
SMILESCCc1cc(CN)cc(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H26N2O/c1-4-13-9-12(11-17)10-15(18-13)19-14-5-7-16(2,3)8-6-14/h9-10,14H,4-8,11,17H2,1-3H3
InChIKeyCADYBHMPSGWQEL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.45
Rot. Bonds4

About [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine

[2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine (PubChem CID 114342332) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine
PubChem CID114342332
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine
SMILESCCc1cc(CN)cc(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H26N2O/c1-4-13-9-12(11-17)10-15(18-13)19-14-5-7-16(2,3)8-6-14/h9-10,14H,4-8,11,17H2,1-3H3
InChIKeyCADYBHMPSGWQEL-UHFFFAOYSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine?
The IUPAC name of [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine (CID 114342332) is [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine is CCc1cc(CN)cc(OC2CCC(C)(C)CC2)n1.
What is the InChIKey of [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine?
The InChIKey is CADYBHMPSGWQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13-9-12(11-17)10-15(18-13)19-14-5-7-16(2,3)8-6-14/h9-10,14H,4-8,11,17H2,1-3H3.
What are the key properties of [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine?
[2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine is sourced from PubChem (CID 114342332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).