N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine

C17H28N2O — CID 79251421

IUPACN-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine
SMILESCCNc1ccnc(COC2CC(C)CC(C)(C)C2)c1
InChIInChI=1S/C17H28N2O/c1-5-18-14-6-7-19-15(9-14)12-20-16-8-13(2)10-17(3,4)11-16/h6-7,9,13,16H,5,8,10-12H2,1-4H3,(H,18,19)
InChIKeyMFEBEPUDOKFFML-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.24
Rot. Bonds5

About N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine

N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine (PubChem CID 79251421) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine
PubChem CID79251421
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine
SMILESCCNc1ccnc(COC2CC(C)CC(C)(C)C2)c1
InChIInChI=1S/C17H28N2O/c1-5-18-14-6-7-19-15(9-14)12-20-16-8-13(2)10-17(3,4)11-16/h6-7,9,13,16H,5,8,10-12H2,1-4H3,(H,18,19)
InChIKeyMFEBEPUDOKFFML-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine (CID 79251421) is N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine is CCNc1ccnc(COC2CC(C)CC(C)(C)C2)c1.
What is the InChIKey of N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine?
The InChIKey is MFEBEPUDOKFFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-14-6-7-19-15(9-14)12-20-16-8-13(2)10-17(3,4)11-16/h6-7,9,13,16H,5,8,10-12H2,1-4H3,(H,18,19).
What are the key properties of N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine?
N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine is sourced from PubChem (CID 79251421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).