4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine

C12H24N2O2 — CID 104759812

IUPAC4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCOC1(CNC2CCC(N)CC2)CCOC1
InChIInChI=1S/C12H24N2O2/c1-15-12(6-7-16-9-12)8-14-11-4-2-10(13)3-5-11/h10-11,14H,2-9,13H2,1H3
InChIKeyRKSITUSBPMRJBF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds4

About 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine

4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 104759812) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine
PubChem CID104759812
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCOC1(CNC2CCC(N)CC2)CCOC1
InChIInChI=1S/C12H24N2O2/c1-15-12(6-7-16-9-12)8-14-11-4-2-10(13)3-5-11/h10-11,14H,2-9,13H2,1H3
InChIKeyRKSITUSBPMRJBF-UHFFFAOYSA-N
XLogP0.65
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexan-1-amine
CID 104705790
N-[(3-methoxyoxolan-3-yl)methyl]piperidin-3-amine
CID 104759714
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
N-[(3-methoxyoxolan-3-yl)methyl]spiro[3.5]nonan-3-amine
CID 102952349
N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 104760803
1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
CID 106080460
tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate
CID 104705076
3-(4-bromophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutan-1-amine
CID 104759771
N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662772
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine
CID 104705115

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine (CID 104759812) is 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine is COC1(CNC2CCC(N)CC2)CCOC1.
What is the InChIKey of 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is RKSITUSBPMRJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-15-12(6-7-16-9-12)8-14-11-4-2-10(13)3-5-11/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 228.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 104759812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).