3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine

C18H36N2O — CID 79911923

IUPAC3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCC1CCC(N(C)C2(CN)CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C18H36N2O/c1-7-14-8-10-15(11-9-14)20(6)18(13-19)12-16(2,3)21-17(18,4)5/h14-15H,7-13,19H2,1-6H3
InChIKeyRRBPZSTWFOCPPI-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.56
Rot. Bonds4

About 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine

3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79911923) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79911923
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCC1CCC(N(C)C2(CN)CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C18H36N2O/c1-7-14-8-10-15(11-9-14)20(6)18(13-19)12-16(2,3)21-17(18,4)5/h14-15H,7-13,19H2,1-6H3
InChIKeyRRBPZSTWFOCPPI-UHFFFAOYSA-N
XLogP3.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-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 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79911923) is 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine is CCC1CCC(N(C)C2(CN)CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is RRBPZSTWFOCPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-7-14-8-10-15(11-9-14)20(6)18(13-19)12-16(2,3)21-17(18,4)5/h14-15H,7-13,19H2,1-6H3.
What are the key properties of 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 296.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-ethylcyclohexyl)-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79911923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).