4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol

C14H30N2O2 — CID 113376169

IUPAC4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol
SMILESCC(O)CC(C)NC1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O2/c1-10(7-11(2)17)16-14(9-15)8-12(3,4)18-13(14,5)6/h10-11,16-17H,7-9,15H2,1-6H3
InChIKeySRALCLMDSNTOTJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.41
Rot. Bonds5

About 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol

4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol (PubChem CID 113376169) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol
PubChem CID113376169
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol
SMILESCC(O)CC(C)NC1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O2/c1-10(7-11(2)17)16-14(9-15)8-12(3,4)18-13(14,5)6/h10-11,16-17H,7-9,15H2,1-6H3
InChIKeySRALCLMDSNTOTJ-UHFFFAOYSA-N
XLogP1.41
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol with MolForge

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Related Compounds

3-[Ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827111
2-Methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827530
2-Cyclopropyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64828142
2-[[4-(Aminomethyl)-2-methyloxan-4-yl]amino]ethanol
CID 65382345
5-[[(1-Methylcyclopentyl)amino]methyl]pyrrolidin-3-ol
CID 66055976
3-[(2,2,5,5-Tetramethyloxolan-3-yl)amino]propan-1-ol
CID 75356350
1-[(2,2,5,5-Tetramethyloxolan-3-yl)amino]propan-2-ol
CID 75356353
2-[(2,2,5,5-Tetramethyloxolan-3-yl)amino]propan-1-ol
CID 75356354
4-[(2,2,5,5-Tetramethyloxolan-3-yl)amino]butan-2-ol
CID 75356356
3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79911931
3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine
CID 79912011
2-[2-Hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol
CID 79912537

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol?
The IUPAC name of 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol (CID 113376169) is 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol.
What is the SMILES notation for 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol?
The canonical SMILES for 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol is CC(O)CC(C)NC1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol?
The InChIKey is SRALCLMDSNTOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-10(7-11(2)17)16-14(9-15)8-12(3,4)18-13(14,5)6/h10-11,16-17H,7-9,15H2,1-6H3.
What are the key properties of 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol?
4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]pentan-2-ol is sourced from PubChem (CID 113376169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).