4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine

C10H21NO — CID 18316429

IUPAC4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine
SMILESCC(C)CC1COC(C(C)C)N1
InChIInChI=1S/C10H21NO/c1-7(2)5-9-6-12-10(11-9)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyNAALUTXPWNQEHA-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.00
Rot. Bonds3

About 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine

4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine (PubChem CID 18316429) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine
PubChem CID18316429
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine
SMILESCC(C)CC1COC(C(C)C)N1
InChIInChI=1S/C10H21NO/c1-7(2)5-9-6-12-10(11-9)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyNAALUTXPWNQEHA-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine (CID 18316429) is 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine is CC(C)CC1COC(C(C)C)N1.
What is the InChIKey of 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine?
The InChIKey is NAALUTXPWNQEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)5-9-6-12-10(11-9)8(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine?
4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine has a molecular weight of 171.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 18316429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).