4-[(3R)-5-methylheptan-3-yl]morpholine

C12H25NO — CID 89263918

IUPAC4-[(3R)-5-methylheptan-3-yl]morpholine
SMILESCCC(C)C[C@@H](CC)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-4-11(3)10-12(5-2)13-6-8-14-9-7-13/h11-12H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyYHHJEZCJUZWJTJ-PIJUOVFKSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About 4-[(3R)-5-methylheptan-3-yl]morpholine

4-[(3R)-5-methylheptan-3-yl]morpholine (PubChem CID 89263918) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-[(3R)-5-methylheptan-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3R)-5-methylheptan-3-yl]morpholine
PubChem CID89263918
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-[(3R)-5-methylheptan-3-yl]morpholine
SMILESCCC(C)C[C@@H](CC)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-4-11(3)10-12(5-2)13-6-8-14-9-7-13/h11-12H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyYHHJEZCJUZWJTJ-PIJUOVFKSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(3R)-5-methylheptan-3-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-[(3R)-5-methylheptan-3-yl]morpholine?
The IUPAC name of 4-[(3R)-5-methylheptan-3-yl]morpholine (CID 89263918) is 4-[(3R)-5-methylheptan-3-yl]morpholine.
What is the SMILES notation for 4-[(3R)-5-methylheptan-3-yl]morpholine?
The canonical SMILES for 4-[(3R)-5-methylheptan-3-yl]morpholine is CCC(C)C[C@@H](CC)N1CCOCC1.
What is the InChIKey of 4-[(3R)-5-methylheptan-3-yl]morpholine?
The InChIKey is YHHJEZCJUZWJTJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(3)10-12(5-2)13-6-8-14-9-7-13/h11-12H,4-10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of 4-[(3R)-5-methylheptan-3-yl]morpholine?
4-[(3R)-5-methylheptan-3-yl]morpholine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-5-methylheptan-3-yl]morpholine is sourced from PubChem (CID 89263918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).