2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol

C11H24N2O3 — CID 90824412

IUPAC2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol
SMILESNCCCC(O)CNCC1CC(O)CCO1
InChIInChI=1S/C11H24N2O3/c12-4-1-2-10(15)7-13-8-11-6-9(14)3-5-16-11/h9-11,13-15H,1-8,12H2
InChIKeyKKDUAYUOVJWUFO-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.78
Rot. Bonds7

About 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol

2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol (PubChem CID 90824412) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol
PubChem CID90824412
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol
SMILESNCCCC(O)CNCC1CC(O)CCO1
InChIInChI=1S/C11H24N2O3/c12-4-1-2-10(15)7-13-8-11-6-9(14)3-5-16-11/h9-11,13-15H,1-8,12H2
InChIKeyKKDUAYUOVJWUFO-UHFFFAOYSA-N
XLogP-0.78
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol?
The IUPAC name of 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol (CID 90824412) is 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol is NCCCC(O)CNCC1CC(O)CCO1.
What is the InChIKey of 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol?
The InChIKey is KKDUAYUOVJWUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c12-4-1-2-10(15)7-13-8-11-6-9(14)3-5-16-11/h9-11,13-15H,1-8,12H2.
What are the key properties of 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol?
2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol has a molecular weight of 232.32 g/mol, XLogP of -0.78, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-amino-2-hydroxypentyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 90824412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).