[1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium

C8H19N2O+ — CID 58875565

IUPAC[1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium
SMILESCCC(O)N1CCC1[NH+](C)C
InChIInChI=1S/C8H18N2O/c1-4-8(11)10-6-5-7(10)9(2)3/h7-8,11H,4-6H2,1-3H3/p+1
InChIKeyYQIVXORKCDHYJQ-UHFFFAOYSA-O
MW159.25 g/mol
LogP-1.11
Rot. Bonds3

About [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium

[1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium (PubChem CID 58875565) has the molecular formula C8H19N2O+ and a molecular weight of 159.25 g/mol. Its IUPAC name is [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium.

Molecular Properties

Compound Name[1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium
PubChem CID58875565
Molecular FormulaC8H19N2O+
Molecular Weight159.25 g/mol
Exact Mass159.15
IUPAC Name[1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium
SMILESCCC(O)N1CCC1[NH+](C)C
InChIInChI=1S/C8H18N2O/c1-4-8(11)10-6-5-7(10)9(2)3/h7-8,11H,4-6H2,1-3H3/p+1
InChIKeyYQIVXORKCDHYJQ-UHFFFAOYSA-O
XLogP-1.11
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium?
The IUPAC name of [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium (CID 58875565) is [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium.
What is the SMILES notation for [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium?
The canonical SMILES for [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium is CCC(O)N1CCC1[NH+](C)C.
What is the InChIKey of [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium?
The InChIKey is YQIVXORKCDHYJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2O/c1-4-8(11)10-6-5-7(10)9(2)3/h7-8,11H,4-6H2,1-3H3/p+1.
What are the key properties of [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium?
[1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium has a molecular weight of 159.25 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-hydroxypropyl)azetidin-2-yl]-dimethylazanium is sourced from PubChem (CID 58875565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).