4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol

C15H33NO3 — CID 142726782

IUPAC4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C(C)CC(C)O)C(C)CC(C)O
InChIInChI=1S/C15H33NO3/c1-10(7-13(4)17)16(11(2)8-14(5)18)12(3)9-15(6)19/h10-15,17-19H,7-9H2,1-6H3
InChIKeyXZFZVNKMZWOPOC-UHFFFAOYSA-N
MW275.43 g/mol
LogP1.77
Rot. Bonds9

About 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol

4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol (PubChem CID 142726782) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol
PubChem CID142726782
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C(C)CC(C)O)C(C)CC(C)O
InChIInChI=1S/C15H33NO3/c1-10(7-13(4)17)16(11(2)8-14(5)18)12(3)9-15(6)19/h10-15,17-19H,7-9H2,1-6H3
InChIKeyXZFZVNKMZWOPOC-UHFFFAOYSA-N
XLogP1.77
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol?
The IUPAC name of 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol (CID 142726782) is 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol?
The canonical SMILES for 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol is CC(O)CC(C)N(C(C)CC(C)O)C(C)CC(C)O.
What is the InChIKey of 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol?
The InChIKey is XZFZVNKMZWOPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-10(7-13(4)17)16(11(2)8-14(5)18)12(3)9-15(6)19/h10-15,17-19H,7-9H2,1-6H3.
What are the key properties of 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol?
4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol has a molecular weight of 275.43 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 142726782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).