2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride

C14H29ClN2O — CID 117226586

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
SMILESCCN1CCCC1CC1(C)NCC(C)(C)CO1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-16-8-6-7-12(16)9-14(4)15-10-13(2,3)11-17-14;/h12,15H,5-11H2,1-4H3;1H
InChIKeyGHGWIEJLUNWREW-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.64
Rot. Bonds3

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride

2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride (PubChem CID 117226586) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
PubChem CID117226586
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
SMILESCCN1CCCC1CC1(C)NCC(C)(C)CO1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-16-8-6-7-12(16)9-14(4)15-10-13(2,3)11-17-14;/h12,15H,5-11H2,1-4H3;1H
InChIKeyGHGWIEJLUNWREW-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-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride (CID 117226586) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride is CCN1CCCC1CC1(C)NCC(C)(C)CO1.Cl.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride?
The InChIKey is GHGWIEJLUNWREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-5-16-8-6-7-12(16)9-14(4)15-10-13(2,3)11-17-14;/h12,15H,5-11H2,1-4H3;1H.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride?
2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;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-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).