4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine

C13H25NO — CID 142918159

IUPAC4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine
SMILESCC(C)(C)/C=C/C(C)(C)N1CCOCC1
InChIInChI=1S/C13H25NO/c1-12(2,3)6-7-13(4,5)14-8-10-15-11-9-14/h6-7H,8-11H2,1-5H3/b7-6+
InChIKeyJWIAUUWJFXWUHR-VOTSOKGWSA-N
MW211.35 g/mol
LogP2.70
Rot. Bonds2

About 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine

4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine (PubChem CID 142918159) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine
PubChem CID142918159
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine
SMILESCC(C)(C)/C=C/C(C)(C)N1CCOCC1
InChIInChI=1S/C13H25NO/c1-12(2,3)6-7-13(4,5)14-8-10-15-11-9-14/h6-7H,8-11H2,1-5H3/b7-6+
InChIKeyJWIAUUWJFXWUHR-VOTSOKGWSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-2,5,5-trimethylhex-3-en-2-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

(E)-N,4-dimethyl-4-morpholin-4-ylpent-2-enamide
CID 122512010
4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine
CID 11808124
CID 58998301
CID 58998301
2-morpholin-4-ylpropane-2-thiol
CID 139318537
4-[(E)-4,4-dimethylpent-2-enyl]morpholine
CID 21060370
4-methyl-4-morpholin-4-ylpent-1-en-3-amine
CID 79052476
N-methyl-2-morpholin-4-ylpropan-2-amine
CID 166844618
4-tert-butylmorpholine;2-methoxy-2-methylpropane
CID 159275308
2-methyl-2-morpholin-4-ylpropanoate
CID 25219445
2-methyl-2-morpholin-4-ylpropanoyl iodide
CID 155067930
4-(2-phenylbut-3-en-2-yl)morpholine
CID 132502608
4-(2,4-dimethylpentan-2-yl)morpholine
CID 67965122

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine?
The IUPAC name of 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine (CID 142918159) is 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine?
The canonical SMILES for 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine is CC(C)(C)/C=C/C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine?
The InChIKey is JWIAUUWJFXWUHR-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)6-7-13(4,5)14-8-10-15-11-9-14/h6-7H,8-11H2,1-5H3/b7-6+.
What are the key properties of 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine?
4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine has a molecular weight of 211.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine is sourced from PubChem (CID 142918159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).