1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol

C13H25NO2 — CID 79123946

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C2(CN)CCOC2)C1
InChIInChI=1S/C13H25NO2/c1-10-5-11(2)7-13(15,6-10)12(8-14)3-4-16-9-12/h10-11,15H,3-9,14H2,1-2H3
InChIKeyTWELYPVPHYFERC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.54
Rot. Bonds2

About 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol

1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 79123946) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol
PubChem CID79123946
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C2(CN)CCOC2)C1
InChIInChI=1S/C13H25NO2/c1-10-5-11(2)7-13(15,6-10)12(8-14)3-4-16-9-12/h10-11,15H,3-9,14H2,1-2H3
InChIKeyTWELYPVPHYFERC-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol 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 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol (CID 79123946) is 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(C2(CN)CCOC2)C1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is TWELYPVPHYFERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-5-11(2)7-13(15,6-10)12(8-14)3-4-16-9-12/h10-11,15H,3-9,14H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79123946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).