4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol

C13H28N2O2 — CID 106841486

IUPAC4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol
SMILESCC1(C)CC(CN)(NCCCCO)C(C)(C)O1
InChIInChI=1S/C13H28N2O2/c1-11(2)9-13(10-14,12(3,4)17-11)15-7-5-6-8-16/h15-16H,5-10,14H2,1-4H3
InChIKeyVYEHXXWZYBZCET-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.02
Rot. Bonds6

About 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol

4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol (PubChem CID 106841486) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol
PubChem CID106841486
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol
SMILESCC1(C)CC(CN)(NCCCCO)C(C)(C)O1
InChIInChI=1S/C13H28N2O2/c1-11(2)9-13(10-14,12(3,4)17-11)15-7-5-6-8-16/h15-16H,5-10,14H2,1-4H3
InChIKeyVYEHXXWZYBZCET-UHFFFAOYSA-N
XLogP1.02
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol?
The IUPAC name of 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol (CID 106841486) is 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol is CC1(C)CC(CN)(NCCCCO)C(C)(C)O1.
What is the InChIKey of 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol?
The InChIKey is VYEHXXWZYBZCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)9-13(10-14,12(3,4)17-11)15-7-5-6-8-16/h15-16H,5-10,14H2,1-4H3.
What are the key properties of 4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol?
4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 1.02, 6 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]butan-1-ol is sourced from PubChem (CID 106841486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).