4-(3,5,5-trimethylhexan-3-yl)morpholine

C13H27NO — CID 123863287

IUPAC4-(3,5,5-trimethylhexan-3-yl)morpholine
SMILESCCC(C)(CC(C)(C)C)N1CCOCC1
InChIInChI=1S/C13H27NO/c1-6-13(5,11-12(2,3)4)14-7-9-15-10-8-14/h6-11H2,1-5H3
InChIKeyBFCSJNIPGAJYMK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds3

About 4-(3,5,5-trimethylhexan-3-yl)morpholine

4-(3,5,5-trimethylhexan-3-yl)morpholine (PubChem CID 123863287) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(3,5,5-trimethylhexan-3-yl)morpholine.

Molecular Properties

Compound Name4-(3,5,5-trimethylhexan-3-yl)morpholine
PubChem CID123863287
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(3,5,5-trimethylhexan-3-yl)morpholine
SMILESCCC(C)(CC(C)(C)C)N1CCOCC1
InChIInChI=1S/C13H27NO/c1-6-13(5,11-12(2,3)4)14-7-9-15-10-8-14/h6-11H2,1-5H3
InChIKeyBFCSJNIPGAJYMK-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-morpholin-4-ylpentanoic acid
CID 64527149
4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine
CID 91584276
ethyl 3-methyl-3-morpholin-4-ylpentanoate
CID 64528777
2-methyl-2-morpholin-4-ylpentan-1-amine
CID 24706216
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
2-morpholin-4-ylpropane-2-thiol
CID 139318537
CID 58998301
CID 58998301
1,2-dimorpholin-4-ylpropan-2-amine
CID 57479397
4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine
CID 153374624
ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate
CID 64528974
3-methyl-3-morpholin-4-ylheptan-4-amine
CID 79064955

Frequently Asked Questions

What is the IUPAC name of 4-(3,5,5-trimethylhexan-3-yl)morpholine?
The IUPAC name of 4-(3,5,5-trimethylhexan-3-yl)morpholine (CID 123863287) is 4-(3,5,5-trimethylhexan-3-yl)morpholine.
What is the SMILES notation for 4-(3,5,5-trimethylhexan-3-yl)morpholine?
The canonical SMILES for 4-(3,5,5-trimethylhexan-3-yl)morpholine is CCC(C)(CC(C)(C)C)N1CCOCC1.
What is the InChIKey of 4-(3,5,5-trimethylhexan-3-yl)morpholine?
The InChIKey is BFCSJNIPGAJYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-13(5,11-12(2,3)4)14-7-9-15-10-8-14/h6-11H2,1-5H3.
What are the key properties of 4-(3,5,5-trimethylhexan-3-yl)morpholine?
4-(3,5,5-trimethylhexan-3-yl)morpholine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5,5-trimethylhexan-3-yl)morpholine is sourced from PubChem (CID 123863287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).