2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride

C14H29ClN2O — CID 117227751

IUPAC2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCC(CC2(C)NC(C)(C)CO2)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)16-7-6-12(9-16)8-14(5)15-13(3,4)10-17-14;/h11-12,15H,6-10H2,1-5H3;1H
InChIKeyHSGFWYJWJGJJSN-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.64
Rot. Bonds3

About 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride

2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride (PubChem CID 117227751) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
PubChem CID117227751
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCC(CC2(C)NC(C)(C)CO2)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)16-7-6-12(9-16)8-14(5)15-13(3,4)10-17-14;/h11-12,15H,6-10H2,1-5H3;1H
InChIKeyHSGFWYJWJGJJSN-UHFFFAOYSA-N
XLogP2.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride (CID 117227751) is 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride is CC(C)N1CCC(CC2(C)NC(C)(C)CO2)C1.Cl.
What is the InChIKey of 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride?
The InChIKey is HSGFWYJWJGJJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-11(2)16-7-6-12(9-16)8-14(5)15-13(3,4)10-17-14;/h11-12,15H,6-10H2,1-5H3;1H.
What are the key properties of 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride?
2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).