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

C17H28N2O — CID 62465508

IUPACN-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine
SMILESCCNc1cc(COC2CC(C)CC(C)(C)C2)ccn1
InChIInChI=1S/C17H28N2O/c1-5-18-16-9-14(6-7-19-16)12-20-15-8-13(2)10-17(3,4)11-15/h6-7,9,13,15H,5,8,10-12H2,1-4H3,(H,18,19)
InChIKeyMTCWBPXECCNAQK-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.24
Rot. Bonds5

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

N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine (PubChem CID 62465508) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine
PubChem CID62465508
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine
SMILESCCNc1cc(COC2CC(C)CC(C)(C)C2)ccn1
InChIInChI=1S/C17H28N2O/c1-5-18-16-9-14(6-7-19-16)12-20-15-8-13(2)10-17(3,4)11-15/h6-7,9,13,15H,5,8,10-12H2,1-4H3,(H,18,19)
InChIKeyMTCWBPXECCNAQK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine (CID 62465508) is N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine is CCNc1cc(COC2CC(C)CC(C)(C)C2)ccn1.
What is the InChIKey of N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine?
The InChIKey is MTCWBPXECCNAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-16-9-14(6-7-19-16)12-20-15-8-13(2)10-17(3,4)11-15/h6-7,9,13,15H,5,8,10-12H2,1-4H3,(H,18,19).
What are the key properties of N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine?
N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-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-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 62465508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).