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

C14H29NO2 — CID 79927543

IUPAC3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO2/c1-7-14(16,8-2)10-15-11-9-12(3,4)17-13(11,5)6/h11,15-16H,7-10H2,1-6H3
InChIKeyRAKSQPXNMQCFDS-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.47
Rot. Bonds5

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

3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol (PubChem CID 79927543) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol
PubChem CID79927543
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO2/c1-7-14(16,8-2)10-15-11-9-12(3,4)17-13(11,5)6/h11,15-16H,7-10H2,1-6H3
InChIKeyRAKSQPXNMQCFDS-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol (CID 79927543) is 3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol?
The InChIKey is RAKSQPXNMQCFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-14(16,8-2)10-15-11-9-12(3,4)17-13(11,5)6/h11,15-16H,7-10H2,1-6H3.
What are the key properties of 3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol?
3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol has a molecular weight of 243.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 79927543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).