4-(3-imidazol-1-yl-3-methylbutyl)morpholine

C12H21N3O — CID 141123430

IUPAC4-(3-imidazol-1-yl-3-methylbutyl)morpholine
SMILESCC(C)(CCN1CCOCC1)n1ccnc1
InChIInChI=1S/C12H21N3O/c1-12(2,15-6-4-13-11-15)3-5-14-7-9-16-10-8-14/h4,6,11H,3,5,7-10H2,1-2H3
InChIKeyOUUQMILOISXVKS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.34
Rot. Bonds4

About 4-(3-imidazol-1-yl-3-methylbutyl)morpholine

4-(3-imidazol-1-yl-3-methylbutyl)morpholine (PubChem CID 141123430) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(3-imidazol-1-yl-3-methylbutyl)morpholine.

Molecular Properties

Compound Name4-(3-imidazol-1-yl-3-methylbutyl)morpholine
PubChem CID141123430
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(3-imidazol-1-yl-3-methylbutyl)morpholine
SMILESCC(C)(CCN1CCOCC1)n1ccnc1
InChIInChI=1S/C12H21N3O/c1-12(2,15-6-4-13-11-15)3-5-14-7-9-16-10-8-14/h4,6,11H,3,5,7-10H2,1-2H3
InChIKeyOUUQMILOISXVKS-UHFFFAOYSA-N
XLogP1.34
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-yl-3-methylbutyl)morpholine?
The IUPAC name of 4-(3-imidazol-1-yl-3-methylbutyl)morpholine (CID 141123430) is 4-(3-imidazol-1-yl-3-methylbutyl)morpholine.
What is the SMILES notation for 4-(3-imidazol-1-yl-3-methylbutyl)morpholine?
The canonical SMILES for 4-(3-imidazol-1-yl-3-methylbutyl)morpholine is CC(C)(CCN1CCOCC1)n1ccnc1.
What is the InChIKey of 4-(3-imidazol-1-yl-3-methylbutyl)morpholine?
The InChIKey is OUUQMILOISXVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,15-6-4-13-11-15)3-5-14-7-9-16-10-8-14/h4,6,11H,3,5,7-10H2,1-2H3.
What are the key properties of 4-(3-imidazol-1-yl-3-methylbutyl)morpholine?
4-(3-imidazol-1-yl-3-methylbutyl)morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-yl-3-methylbutyl)morpholine is sourced from PubChem (CID 141123430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).