4-(4-amino-3,3-dimethylbutyl)morpholin-3-one

C10H20N2O2 — CID 79469345

IUPAC4-(4-amino-3,3-dimethylbutyl)morpholin-3-one
SMILESCC(C)(CN)CCN1CCOCC1=O
InChIInChI=1S/C10H20N2O2/c1-10(2,8-11)3-4-12-5-6-14-7-9(12)13/h3-8,11H2,1-2H3
InChIKeyZHEFIUVSTHSLGC-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.22
Rot. Bonds4

About 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one

4-(4-amino-3,3-dimethylbutyl)morpholin-3-one (PubChem CID 79469345) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylbutyl)morpholin-3-one
PubChem CID79469345
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(4-amino-3,3-dimethylbutyl)morpholin-3-one
SMILESCC(C)(CN)CCN1CCOCC1=O
InChIInChI=1S/C10H20N2O2/c1-10(2,8-11)3-4-12-5-6-14-7-9(12)13/h3-8,11H2,1-2H3
InChIKeyZHEFIUVSTHSLGC-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one?
The IUPAC name of 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one (CID 79469345) is 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one.
What is the SMILES notation for 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one?
The canonical SMILES for 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one is CC(C)(CN)CCN1CCOCC1=O.
What is the InChIKey of 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one?
The InChIKey is ZHEFIUVSTHSLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,8-11)3-4-12-5-6-14-7-9(12)13/h3-8,11H2,1-2H3.
What are the key properties of 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one?
4-(4-amino-3,3-dimethylbutyl)morpholin-3-one has a molecular weight of 200.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylbutyl)morpholin-3-one is sourced from PubChem (CID 79469345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).