5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride

C16H30ClNO2 — CID 23053711

IUPAC5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride
SMILESCC(C)CC1CC(C(N)CC2CCCCC2)OC1=O.Cl
InChIInChI=1S/C16H29NO2.ClH/c1-11(2)8-13-10-15(19-16(13)18)14(17)9-12-6-4-3-5-7-12;/h11-15H,3-10,17H2,1-2H3;1H
InChIKeyWKBYKJKTQAWQPT-UHFFFAOYSA-N
MW303.87 g/mol
LogP3.68
Rot. Bonds5

About 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride

5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride (PubChem CID 23053711) has the molecular formula C16H30ClNO2 and a molecular weight of 303.87 g/mol. Its IUPAC name is 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride
PubChem CID23053711
Molecular FormulaC16H30ClNO2
Molecular Weight303.87 g/mol
Exact Mass303.20
IUPAC Name5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride
SMILESCC(C)CC1CC(C(N)CC2CCCCC2)OC1=O.Cl
InChIInChI=1S/C16H29NO2.ClH/c1-11(2)8-13-10-15(19-16(13)18)14(17)9-12-6-4-3-5-7-12;/h11-15H,3-10,17H2,1-2H3;1H
InChIKeyWKBYKJKTQAWQPT-UHFFFAOYSA-N
XLogP3.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.87
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride?
The IUPAC name of 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride (CID 23053711) is 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride.
What is the SMILES notation for 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride?
The canonical SMILES for 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride is CC(C)CC1CC(C(N)CC2CCCCC2)OC1=O.Cl.
What is the InChIKey of 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride?
The InChIKey is WKBYKJKTQAWQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2.ClH/c1-11(2)8-13-10-15(19-16(13)18)14(17)9-12-6-4-3-5-7-12;/h11-15H,3-10,17H2,1-2H3;1H.
What are the key properties of 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride?
5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride has a molecular weight of 303.87 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)oxolan-2-one;hydrochloride is sourced from PubChem (CID 23053711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).