4-amino-4-(1-hydroxypropyl)octane-3,6-diol

C11H25NO3 — CID 140506269

IUPAC4-amino-4-(1-hydroxypropyl)octane-3,6-diol
SMILESCCC(O)CC(N)(C(O)CC)C(O)CC
InChIInChI=1S/C11H25NO3/c1-4-8(13)7-11(12,9(14)5-2)10(15)6-3/h8-10,13-15H,4-7,12H2,1-3H3
InChIKeyWHJFALKWLKHNHX-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.39
Rot. Bonds7

About 4-amino-4-(1-hydroxypropyl)octane-3,6-diol

4-amino-4-(1-hydroxypropyl)octane-3,6-diol (PubChem CID 140506269) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 4-amino-4-(1-hydroxypropyl)octane-3,6-diol.

Molecular Properties

Compound Name4-amino-4-(1-hydroxypropyl)octane-3,6-diol
PubChem CID140506269
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name4-amino-4-(1-hydroxypropyl)octane-3,6-diol
SMILESCCC(O)CC(N)(C(O)CC)C(O)CC
InChIInChI=1S/C11H25NO3/c1-4-8(13)7-11(12,9(14)5-2)10(15)6-3/h8-10,13-15H,4-7,12H2,1-3H3
InChIKeyWHJFALKWLKHNHX-UHFFFAOYSA-N
XLogP0.39
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(1-hydroxypropyl)octane-3,6-diol?
The IUPAC name of 4-amino-4-(1-hydroxypropyl)octane-3,6-diol (CID 140506269) is 4-amino-4-(1-hydroxypropyl)octane-3,6-diol.
What is the SMILES notation for 4-amino-4-(1-hydroxypropyl)octane-3,6-diol?
The canonical SMILES for 4-amino-4-(1-hydroxypropyl)octane-3,6-diol is CCC(O)CC(N)(C(O)CC)C(O)CC.
What is the InChIKey of 4-amino-4-(1-hydroxypropyl)octane-3,6-diol?
The InChIKey is WHJFALKWLKHNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-4-8(13)7-11(12,9(14)5-2)10(15)6-3/h8-10,13-15H,4-7,12H2,1-3H3.
What are the key properties of 4-amino-4-(1-hydroxypropyl)octane-3,6-diol?
4-amino-4-(1-hydroxypropyl)octane-3,6-diol has a molecular weight of 219.32 g/mol, XLogP of 0.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(1-hydroxypropyl)octane-3,6-diol is sourced from PubChem (CID 140506269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).