2-(3-heptan-2-ylimidazol-4-yl)morpholine

C14H25N3O — CID 114719560

IUPAC2-(3-heptan-2-ylimidazol-4-yl)morpholine
SMILESCCCCCC(C)n1cncc1C1CNCCO1
InChIInChI=1S/C14H25N3O/c1-3-4-5-6-12(2)17-11-16-9-13(17)14-10-15-7-8-18-14/h9,11-12,14-15H,3-8,10H2,1-2H3
InChIKeyUBTANHDXCUBAAZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.69
Rot. Bonds6

About 2-(3-heptan-2-ylimidazol-4-yl)morpholine

2-(3-heptan-2-ylimidazol-4-yl)morpholine (PubChem CID 114719560) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-heptan-2-ylimidazol-4-yl)morpholine.

Molecular Properties

Compound Name2-(3-heptan-2-ylimidazol-4-yl)morpholine
PubChem CID114719560
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(3-heptan-2-ylimidazol-4-yl)morpholine
SMILESCCCCCC(C)n1cncc1C1CNCCO1
InChIInChI=1S/C14H25N3O/c1-3-4-5-6-12(2)17-11-16-9-13(17)14-10-15-7-8-18-14/h9,11-12,14-15H,3-8,10H2,1-2H3
InChIKeyUBTANHDXCUBAAZ-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-heptan-2-ylimidazol-4-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268
2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
CID 114716077
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
5-cyclopropyl-1-heptan-2-ylimidazole
CID 116811645
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
CID 114719268
2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine
CID 114717855
2-[3-(3-methylpentan-3-yl)imidazol-4-yl]morpholine
CID 106329949
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434

Frequently Asked Questions

What is the IUPAC name of 2-(3-heptan-2-ylimidazol-4-yl)morpholine?
The IUPAC name of 2-(3-heptan-2-ylimidazol-4-yl)morpholine (CID 114719560) is 2-(3-heptan-2-ylimidazol-4-yl)morpholine.
What is the SMILES notation for 2-(3-heptan-2-ylimidazol-4-yl)morpholine?
The canonical SMILES for 2-(3-heptan-2-ylimidazol-4-yl)morpholine is CCCCCC(C)n1cncc1C1CNCCO1.
What is the InChIKey of 2-(3-heptan-2-ylimidazol-4-yl)morpholine?
The InChIKey is UBTANHDXCUBAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-4-5-6-12(2)17-11-16-9-13(17)14-10-15-7-8-18-14/h9,11-12,14-15H,3-8,10H2,1-2H3.
What are the key properties of 2-(3-heptan-2-ylimidazol-4-yl)morpholine?
2-(3-heptan-2-ylimidazol-4-yl)morpholine has a molecular weight of 251.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-heptan-2-ylimidazol-4-yl)morpholine is sourced from PubChem (CID 114719560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).