3-morpholin-4-ylpropylazanium

C7H17N2O+ — CID 3748404

IUPAC3-morpholin-4-ylpropylazanium
SMILES[NH3+]CCCN1CCOCC1
InChIInChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2/p+1
InChIKeyUIKUBYKUYUSRSM-UHFFFAOYSA-O
MW145.23 g/mol
LogP-1.05
Rot. Bonds3

About 3-morpholin-4-ylpropylazanium

3-morpholin-4-ylpropylazanium (PubChem CID 3748404) has the molecular formula C7H17N2O+ and a molecular weight of 145.23 g/mol. Its IUPAC name is 3-morpholin-4-ylpropylazanium.

Molecular Properties

Compound Name3-morpholin-4-ylpropylazanium
PubChem CID3748404
Molecular FormulaC7H17N2O+
Molecular Weight145.23 g/mol
Exact Mass145.13
IUPAC Name3-morpholin-4-ylpropylazanium
SMILES[NH3+]CCCN1CCOCC1
InChIInChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2/p+1
InChIKeyUIKUBYKUYUSRSM-UHFFFAOYSA-O
XLogP-1.05
TPSA40.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropylazanium?
The IUPAC name of 3-morpholin-4-ylpropylazanium (CID 3748404) is 3-morpholin-4-ylpropylazanium.
What is the SMILES notation for 3-morpholin-4-ylpropylazanium?
The canonical SMILES for 3-morpholin-4-ylpropylazanium is [NH3+]CCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropylazanium?
The InChIKey is UIKUBYKUYUSRSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2/p+1.
What are the key properties of 3-morpholin-4-ylpropylazanium?
3-morpholin-4-ylpropylazanium has a molecular weight of 145.23 g/mol, XLogP of -1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropylazanium is sourced from PubChem (CID 3748404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).