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

C13H23N3O — CID 91479471

IUPAC4-(3-imidazol-1-ylhexan-3-yl)morpholine
SMILESCCCC(CC)(N1CCOCC1)n1ccnc1
InChIInChI=1S/C13H23N3O/c1-3-5-13(4-2,16-7-6-14-12-16)15-8-10-17-11-9-15/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyNCGLGFLCLKASFE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.08
Rot. Bonds5

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

4-(3-imidazol-1-ylhexan-3-yl)morpholine (PubChem CID 91479471) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylhexan-3-yl)morpholine.

Molecular Properties

Compound Name4-(3-imidazol-1-ylhexan-3-yl)morpholine
PubChem CID91479471
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(3-imidazol-1-ylhexan-3-yl)morpholine
SMILESCCCC(CC)(N1CCOCC1)n1ccnc1
InChIInChI=1S/C13H23N3O/c1-3-5-13(4-2,16-7-6-14-12-16)15-8-10-17-11-9-15/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyNCGLGFLCLKASFE-UHFFFAOYSA-N
XLogP2.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.08
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-ylhexan-3-yl)morpholine?
The IUPAC name of 4-(3-imidazol-1-ylhexan-3-yl)morpholine (CID 91479471) is 4-(3-imidazol-1-ylhexan-3-yl)morpholine.
What is the SMILES notation for 4-(3-imidazol-1-ylhexan-3-yl)morpholine?
The canonical SMILES for 4-(3-imidazol-1-ylhexan-3-yl)morpholine is CCCC(CC)(N1CCOCC1)n1ccnc1.
What is the InChIKey of 4-(3-imidazol-1-ylhexan-3-yl)morpholine?
The InChIKey is NCGLGFLCLKASFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-13(4-2,16-7-6-14-12-16)15-8-10-17-11-9-15/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 4-(3-imidazol-1-ylhexan-3-yl)morpholine?
4-(3-imidazol-1-ylhexan-3-yl)morpholine has a molecular weight of 237.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylhexan-3-yl)morpholine is sourced from PubChem (CID 91479471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).