N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine

C14H25N3O2 — CID 56723389

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCOCCc1noc(CNC2CCCC(C)(C)C2)n1
InChIInChI=1S/C14H25N3O2/c1-14(2)7-4-5-11(9-14)15-10-13-16-12(17-19-13)6-8-18-3/h11,15H,4-10H2,1-3H3
InChIKeyBSBUKOXPVVGJBL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.32
Rot. Bonds6

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 56723389) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID56723389
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCOCCc1noc(CNC2CCCC(C)(C)C2)n1
InChIInChI=1S/C14H25N3O2/c1-14(2)7-4-5-11(9-14)15-10-13-16-12(17-19-13)6-8-18-3/h11,15H,4-10H2,1-3H3
InChIKeyBSBUKOXPVVGJBL-UHFFFAOYSA-N
XLogP2.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-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-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine (CID 56723389) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine is COCCc1noc(CNC2CCCC(C)(C)C2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is BSBUKOXPVVGJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2)7-4-5-11(9-14)15-10-13-16-12(17-19-13)6-8-18-3/h11,15H,4-10H2,1-3H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 56723389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).