4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine

C11H23NO — CID 19920833

IUPAC4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine
SMILESCCCCCC1(C)NC(CC)CO1
InChIInChI=1S/C11H23NO/c1-4-6-7-8-11(3)12-10(5-2)9-13-11/h10,12H,4-9H2,1-3H3
InChIKeyKZLVNVOEKIRFHT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.68
Rot. Bonds5

About 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine

4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine (PubChem CID 19920833) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine
PubChem CID19920833
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine
SMILESCCCCCC1(C)NC(CC)CO1
InChIInChI=1S/C11H23NO/c1-4-6-7-8-11(3)12-10(5-2)9-13-11/h10,12H,4-9H2,1-3H3
InChIKeyKZLVNVOEKIRFHT-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Oxa-4-azaspiro[4.5]decane
CID 278559
Oxazolidine, 4-ethyl-2-methyl-2-(3-methylbutyl)-
CID 5105001
(R,R)-(-)-2,5-Bis(methoxymethyl)pyrrolidine
CID 2724974
Spiro(cyclohexane-1,2'-oxazolidine), 3-methyl-
CID 3053135
(S,S)-(+)-2,5-Bis(methoxymethyl)pyrrolidine
CID 7019262
2-Hexyl-oxazolidine
CID 20403390
2-Hexyl-2-methyl-1,3-oxazolidine
CID 278947
2-Methyl-2-pentyl-1,3-oxazolidine
CID 278948
2-(Heptan-3-yl)-1,3-oxazolidine
CID 287363
4,4-Dimethyl-2-pentyl-1,3-oxazolidine
CID 337255
3-Ethyl-1-oxa-4-azaspiro[4.5]decane
CID 12668045
2,2,4-Triethyl-1,3-oxazolidine
CID 278504

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine?
The IUPAC name of 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine (CID 19920833) is 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine.
What is the SMILES notation for 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine?
The canonical SMILES for 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine is CCCCCC1(C)NC(CC)CO1.
What is the InChIKey of 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine?
The InChIKey is KZLVNVOEKIRFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-7-8-11(3)12-10(5-2)9-13-11/h10,12H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine?
4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine has a molecular weight of 185.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-2-pentyl-1,3-oxazolidine is sourced from PubChem (CID 19920833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).