2,4,4-trimethyl-2-propyl-1,3-oxazolidine

C9H19NO — CID 117228404

IUPAC2,4,4-trimethyl-2-propyl-1,3-oxazolidine
SMILESCCCC1(C)NC(C)(C)CO1
InChIInChI=1S/C9H19NO/c1-5-6-9(4)10-8(2,3)7-11-9/h10H,5-7H2,1-4H3
InChIKeyOYSZBHHFSWVULA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.90
Rot. Bonds2

About 2,4,4-trimethyl-2-propyl-1,3-oxazolidine

2,4,4-trimethyl-2-propyl-1,3-oxazolidine (PubChem CID 117228404) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-propyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-2-propyl-1,3-oxazolidine
PubChem CID117228404
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,4,4-trimethyl-2-propyl-1,3-oxazolidine
SMILESCCCC1(C)NC(C)(C)CO1
InChIInChI=1S/C9H19NO/c1-5-6-9(4)10-8(2,3)7-11-9/h10H,5-7H2,1-4H3
InChIKeyOYSZBHHFSWVULA-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228618
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228653
2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
CID 117227736
2-[(4-chlorophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228367
2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227791
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236
2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228013
2,4,4-trimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228055
2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228329
5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane
CID 19373320
2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
CID 117228283

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-propyl-1,3-oxazolidine?
The IUPAC name of 2,4,4-trimethyl-2-propyl-1,3-oxazolidine (CID 117228404) is 2,4,4-trimethyl-2-propyl-1,3-oxazolidine.
What is the SMILES notation for 2,4,4-trimethyl-2-propyl-1,3-oxazolidine?
The canonical SMILES for 2,4,4-trimethyl-2-propyl-1,3-oxazolidine is CCCC1(C)NC(C)(C)CO1.
What is the InChIKey of 2,4,4-trimethyl-2-propyl-1,3-oxazolidine?
The InChIKey is OYSZBHHFSWVULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-9(4)10-8(2,3)7-11-9/h10H,5-7H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-2-propyl-1,3-oxazolidine?
2,4,4-trimethyl-2-propyl-1,3-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-propyl-1,3-oxazolidine is sourced from PubChem (CID 117228404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).