5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride

C14H29ClN2O — CID 117226304

IUPAC5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride
SMILESCC(C)N1CCC(CC2NCC(C)(C)CO2)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)16-6-5-12(8-16)7-13-15-9-14(3,4)10-17-13;/h11-13,15H,5-10H2,1-4H3;1H
InChIKeyKNEVRWSWKXHXOC-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.50
Rot. Bonds3

About 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride

5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride (PubChem CID 117226304) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride
PubChem CID117226304
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride
SMILESCC(C)N1CCC(CC2NCC(C)(C)CO2)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)16-6-5-12(8-16)7-13-15-9-14(3,4)10-17-13;/h11-13,15H,5-10H2,1-4H3;1H
InChIKeyKNEVRWSWKXHXOC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
CID 117226361
5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane
CID 117226259
2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227751
5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride
CID 117227196
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227807
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117227797
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
5,5-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazinane
CID 117227217
3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine
CID 138459698
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride?
The IUPAC name of 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride (CID 117226304) is 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride?
The canonical SMILES for 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride is CC(C)N1CCC(CC2NCC(C)(C)CO2)C1.Cl.
What is the InChIKey of 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride?
The InChIKey is KNEVRWSWKXHXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-11(2)16-6-5-12(8-16)7-13-15-9-14(3,4)10-17-13;/h11-13,15H,5-10H2,1-4H3;1H.
What are the key properties of 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride?
5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).