3-morpholin-4-ylbutan-2-amine

C8H18N2O — CID 50987517

IUPAC3-morpholin-4-ylbutan-2-amine
SMILESCC(N)C(C)N1CCOCC1
InChIInChI=1S/C8H18N2O/c1-7(9)8(2)10-3-5-11-6-4-10/h7-8H,3-6,9H2,1-2H3
InChIKeyGUSHEMUDDUPEBZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.05
Rot. Bonds2

About 3-morpholin-4-ylbutan-2-amine

3-morpholin-4-ylbutan-2-amine (PubChem CID 50987517) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name3-morpholin-4-ylbutan-2-amine
PubChem CID50987517
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-morpholin-4-ylbutan-2-amine
SMILESCC(N)C(C)N1CCOCC1
InChIInChI=1S/C8H18N2O/c1-7(9)8(2)10-3-5-11-6-4-10/h7-8H,3-6,9H2,1-2H3
InChIKeyGUSHEMUDDUPEBZ-UHFFFAOYSA-N
XLogP0.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylbutan-2-amine?
The IUPAC name of 3-morpholin-4-ylbutan-2-amine (CID 50987517) is 3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 3-morpholin-4-ylbutan-2-amine is CC(N)C(C)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylbutan-2-amine?
The InChIKey is GUSHEMUDDUPEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(9)8(2)10-3-5-11-6-4-10/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 3-morpholin-4-ylbutan-2-amine?
3-morpholin-4-ylbutan-2-amine has a molecular weight of 158.24 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 50987517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).