4-methyl-2-propyl-1,3-oxazolidine;hydrochloride

C7H16ClNO — CID 117228385

IUPAC4-methyl-2-propyl-1,3-oxazolidine;hydrochloride
SMILESCCCC1NC(C)CO1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-3-4-7-8-6(2)5-9-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeyDJOVGHMLLJXPCK-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.54
Rot. Bonds2

About 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride

4-methyl-2-propyl-1,3-oxazolidine;hydrochloride (PubChem CID 117228385) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-propyl-1,3-oxazolidine;hydrochloride
PubChem CID117228385
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name4-methyl-2-propyl-1,3-oxazolidine;hydrochloride
SMILESCCCC1NC(C)CO1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-3-4-7-8-6(2)5-9-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeyDJOVGHMLLJXPCK-UHFFFAOYSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(4-methyl-1,3-oxazolidin-2-yl)ethanamine
CID 117228622
4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine;hydrochloride
CID 117228597
2-propyl-4-tridecyl-1,3-oxazolidine
CID 66910843
(4R)-4-ethyl-2-pentyl-1,3-oxazolidine
CID 10607282
3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide
CID 117227706
(3S,5R)-3,5-dimethylmorpholine;hydrochloride
CID 20818712
(2S,5S)-2-ethyl-5-methylmorpholine
CID 93264101
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
3,5-dimethylmorpholine
CID 8862
3-methyl-5-propyl-1,4-thiazinane 1,1-dioxide
CID 66219421
2-(1-ethylpyrrolidin-2-yl)-4-methyl-1,3-oxazolidine;hydrochloride
CID 117227905
(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
CID 131847771

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride (CID 117228385) is 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride is CCCC1NC(C)CO1.Cl.
What is the InChIKey of 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride?
The InChIKey is DJOVGHMLLJXPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-3-4-7-8-6(2)5-9-7;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride?
4-methyl-2-propyl-1,3-oxazolidine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117228385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).