[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium

C7H18NO3+ — CID 22480641

IUPAC[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium
SMILES[NH3+]C(CCO)(CCO)CCO
InChIInChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2/p+1
InChIKeyGKODZWOPPOTFGA-UHFFFAOYSA-O
MW164.22 g/mol
LogP-1.89
Rot. Bonds6

About [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium

[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium (PubChem CID 22480641) has the molecular formula C7H18NO3+ and a molecular weight of 164.22 g/mol. Its IUPAC name is [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium.

Molecular Properties

Compound Name[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium
PubChem CID22480641
Molecular FormulaC7H18NO3+
Molecular Weight164.22 g/mol
Exact Mass164.13
IUPAC Name[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium
SMILES[NH3+]C(CCO)(CCO)CCO
InChIInChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2/p+1
InChIKeyGKODZWOPPOTFGA-UHFFFAOYSA-O
XLogP-1.89
TPSA88.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium?
The IUPAC name of [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium (CID 22480641) is [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium.
What is the SMILES notation for [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium?
The canonical SMILES for [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium is [NH3+]C(CCO)(CCO)CCO.
What is the InChIKey of [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium?
The InChIKey is GKODZWOPPOTFGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2/p+1.
What are the key properties of [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium?
[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium has a molecular weight of 164.22 g/mol, XLogP of -1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]azanium is sourced from PubChem (CID 22480641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).