4-morpholin-4-ylbutan-2-amine

C8H18N2O — CID 16767299

IUPAC4-morpholin-4-ylbutan-2-amine
SMILESCC(N)CCN1CCOCC1
InChIInChI=1S/C8H18N2O/c1-8(9)2-3-10-4-6-11-7-5-10/h8H,2-7,9H2,1H3
InChIKeyGWAZLPJZKQFTRM-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.06
Rot. Bonds3

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

4-morpholin-4-ylbutan-2-amine (PubChem CID 16767299) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name4-morpholin-4-ylbutan-2-amine
PubChem CID16767299
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-morpholin-4-ylbutan-2-amine
SMILESCC(N)CCN1CCOCC1
InChIInChI=1S/C8H18N2O/c1-8(9)2-3-10-4-6-11-7-5-10/h8H,2-7,9H2,1H3
InChIKeyGWAZLPJZKQFTRM-UHFFFAOYSA-N
XLogP0.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbutan-2-amine?
The IUPAC name of 4-morpholin-4-ylbutan-2-amine (CID 16767299) is 4-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 4-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 4-morpholin-4-ylbutan-2-amine is CC(N)CCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbutan-2-amine?
The InChIKey is GWAZLPJZKQFTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(9)2-3-10-4-6-11-7-5-10/h8H,2-7,9H2,1H3.
What are the key properties of 4-morpholin-4-ylbutan-2-amine?
4-morpholin-4-ylbutan-2-amine has a molecular weight of 158.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 16767299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).