4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol

C11H24N2O2 — CID 114948570

IUPAC4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCN)CC1(O)CCOCC1
InChIInChI=1S/C11H24N2O2/c1-13(7-3-2-6-12)10-11(14)4-8-15-9-5-11/h14H,2-10,12H2,1H3
InChIKeyWDZKXVJPAJBGRK-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.20
Rot. Bonds6

About 4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol

4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 114948570) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol
PubChem CID114948570
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCN)CC1(O)CCOCC1
InChIInChI=1S/C11H24N2O2/c1-13(7-3-2-6-12)10-11(14)4-8-15-9-5-11/h14H,2-10,12H2,1H3
InChIKeyWDZKXVJPAJBGRK-UHFFFAOYSA-N
XLogP0.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
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-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol (CID 114948570) is 4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol is CN(CCCCN)CC1(O)CCOCC1.
What is the InChIKey of 4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is WDZKXVJPAJBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-13(7-3-2-6-12)10-11(14)4-8-15-9-5-11/h14H,2-10,12H2,1H3.
What are the key properties of 4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol?
4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 216.32 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-aminobutyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114948570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).