2-methyl-2-(3-methylbutyl)-1,3-oxazolidine

C9H19NO — CID 123226280

IUPAC2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCC(C)CCC1(C)NCCO1
InChIInChI=1S/C9H19NO/c1-8(2)4-5-9(3)10-6-7-11-9/h8,10H,4-7H2,1-3H3
InChIKeyJSUGSQFWWCLRAC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine

2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (PubChem CID 123226280) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
PubChem CID123226280
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCC(C)CCC1(C)NCCO1
InChIInChI=1S/C9H19NO/c1-8(2)4-5-9(3)10-6-7-11-9/h8,10H,4-7H2,1-3H3
InChIKeyJSUGSQFWWCLRAC-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 3-ethyl-2-methyl-2-(3-methylbutyl)-
CID 4199499
Oxazolidine, 4-ethyl-2-methyl-2-(3-methylbutyl)-
CID 5105001
1-Oxa-4-azaspiro(4.5)decane, 8-methyl-
CID 3053402
1-Oxa-4-azaspiro(4.5)decane, 7-methyl-
CID 210916
Spiro(cyclohexane-1,2'-oxazolidine), 3-methyl-
CID 3053135
1-Oxa-4-azaspiro(4.5)decane, 6-methyl-
CID 3068528
4-Ethyl-2-methyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 19920832
(2S)-2-(2-methoxypropan-2-yl)pyrrolidine
CID 2733181
3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine
CID 123400657
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The IUPAC name of 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (CID 123226280) is 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The canonical SMILES for 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is CC(C)CCC1(C)NCCO1.
What is the InChIKey of 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The InChIKey is JSUGSQFWWCLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)4-5-9(3)10-6-7-11-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
2-methyl-2-(3-methylbutyl)-1,3-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is sourced from PubChem (CID 123226280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).