ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine

C12H31N3O — CID 145098693

IUPACethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine
SMILESCC.CC.CN1CCNC1.CN1CCOC1
InChIInChI=1S/C4H10N2.C4H9NO.2C2H6/c1-6-3-2-5-4-6;1-5-2-3-6-4-5;2*1-2/h5H,2-4H2,1H3;2-4H2,1H3;2*1-2H3
InChIKeyRCVYYBVJIBKBCH-UHFFFAOYSA-N
MW233.40 g/mol
LogP1.44
Rot. Bonds

About ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine

ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine (PubChem CID 145098693) has the molecular formula C12H31N3O and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine.

Molecular Properties

Compound Nameethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine
PubChem CID145098693
Molecular FormulaC12H31N3O
Molecular Weight233.40 g/mol
Exact Mass233.25
IUPAC Nameethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine
SMILESCC.CC.CN1CCNC1.CN1CCOC1
InChIInChI=1S/C4H10N2.C4H9NO.2C2H6/c1-6-3-2-5-4-6;1-5-2-3-6-4-5;2*1-2/h5H,2-4H2,1H3;2-4H2,1H3;2*1-2H3
InChIKeyRCVYYBVJIBKBCH-UHFFFAOYSA-N
XLogP1.44
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine?
The IUPAC name of ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine (CID 145098693) is ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine.
What is the SMILES notation for ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine?
The canonical SMILES for ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine is CC.CC.CN1CCNC1.CN1CCOC1.
What is the InChIKey of ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine?
The InChIKey is RCVYYBVJIBKBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C4H9NO.2C2H6/c1-6-3-2-5-4-6;1-5-2-3-6-4-5;2*1-2/h5H,2-4H2,1H3;2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine?
ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine has a molecular weight of 233.40 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylimidazolidine;3-methyl-1,3-oxazolidine is sourced from PubChem (CID 145098693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).