4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine

C16H33NO — CID 91584276

IUPAC4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine
SMILESCCC(C)(C)C(C)(C)CC(C)(C)N1CCOCC1
InChIInChI=1S/C16H33NO/c1-8-14(2,3)15(4,5)13-16(6,7)17-9-11-18-12-10-17/h8-13H2,1-7H3
InChIKeyMBPVHSIDSXURHG-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.95
Rot. Bonds5

About 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine

4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine (PubChem CID 91584276) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine.

Molecular Properties

Compound Name4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine
PubChem CID91584276
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine
SMILESCCC(C)(C)C(C)(C)CC(C)(C)N1CCOCC1
InChIInChI=1S/C16H33NO/c1-8-14(2,3)15(4,5)13-16(6,7)17-9-11-18-12-10-17/h8-13H2,1-7H3
InChIKeyMBPVHSIDSXURHG-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,4,4,5,5-pentamethylheptan-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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine?
The IUPAC name of 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine (CID 91584276) is 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine.
What is the SMILES notation for 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine?
The canonical SMILES for 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine is CCC(C)(C)C(C)(C)CC(C)(C)N1CCOCC1.
What is the InChIKey of 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine?
The InChIKey is MBPVHSIDSXURHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-8-14(2,3)15(4,5)13-16(6,7)17-9-11-18-12-10-17/h8-13H2,1-7H3.
What are the key properties of 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine?
4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine has a molecular weight of 255.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine is sourced from PubChem (CID 91584276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).